N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide

C152H166N22O23 — CID 158561203

About N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide

N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide (PubChem CID 158561203) has the molecular formula C152H166N22O23 and a molecular weight of 2669.13 g/mol. Its IUPAC name is N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
• PubChem CID: 158561203
• Molecular Formula: C152H166N22O23
• Molecular Weight: 2669.13 g/mol
• Exact Mass: 2667.25
• IUPAC Name: N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
• SMILES: CN1C(=O)C(NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CC4(CCOCC4)C3)cc21.CN1C(=O)C(NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CCC4(CCOCC4)C3)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CC4(CCOCC4)C3)cc21.CN1CCC2(CC1)CCN(c1ccc3c(c1)N(C)C(=O)C(NC(=O)c1cc(Oc4ccccc4)ccn1)CO3)CC2.CN1CCC2(CC1)CCN(c1ccc3c(c1)N(C)C(=O)[C@H](NC(=O)c1cc(Oc4ccccc4)ccn1)CO3)CC2
• InChI: InChI=1S/2C32H37N5O4.C30H32N4O5.2C29H30N4O5/c2*1-35-16-11-32(12-17-35)13-18-37(19-14-32)23-8-9-29-28(20-23)36(2)31(39)27(22-40-29)34-30(38)26-21-25(10-15-33-26)41-24-6-4-3-5-7-24;1-33-26-17-21(34-14-10-30(20-34)11-15-37-16-12-30)7-8-27(26)38-19-25(29(33)36)32-28(35)24-18-23(9-13-31-24)39-22-5-3-2-4-6-22;2*1-32-25-15-20(33-18-29(19-33)10-13-36-14-11-29)7-8-26(25)37-17-24(28(32)35)31-27(34)23-16-22(9-12-30-23)38-21-5-3-2-4-6-21/h2*3-10,15,20-21,27H,11-14,16-19,22H2,1-2H3,(H,34,38);2-9,13,17-18,25H,10-12,14-16,19-20H2,1H3,(H,32,35);2*2-9,12,15-16,24H,10-11,13-14,17-19H2,1H3,(H,31,34)/t27-;;;24-;/m1..1./s1
• InChIKey: HQXFBPRTBWULAC-CSXXCWNESA-N
• XLogP: 20.00
• TPSA: 454.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2669.13
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?

The IUPAC name of N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide (CID 158561203) is N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide is CN1C(=O)C(NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CC4(CCOCC4)C3)cc21.CN1C(=O)C(NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CCC4(CCOCC4)C3)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)COc2ccc(N3CC4(CCOCC4)C3)cc21.CN1CCC2(CC1)CCN(c1ccc3c(c1)N(C)C(=O)C(NC(=O)c1cc(Oc4ccccc4)ccn1)CO3)CC2.CN1CCC2(CC1)CCN(c1ccc3c(c1)N(C)C(=O)[C@H](NC(=O)c1cc(Oc4ccccc4)ccn1)CO3)CC2.

What is the InChIKey of N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?

The InChIKey is HQXFBPRTBWULAC-CSXXCWNESA-N. The full InChI is InChI=1S/2C32H37N5O4.C30H32N4O5.2C29H30N4O5/c2*1-35-16-11-32(12-17-35)13-18-37(19-14-32)23-8-9-29-28(20-23)36(2)31(39)27(22-40-29)34-30(38)26-21-25(10-15-33-26)41-24-6-4-3-5-7-24;1-33-26-17-21(34-14-10-30(20-34)11-15-37-16-12-30)7-8-27(26)38-19-25(29(33)36)32-28(35)24-18-23(9-13-31-24)39-22-5-3-2-4-6-22;2*1-32-25-15-20(33-18-29(19-33)10-13-36-14-11-29)7-8-26(25)37-17-24(28(32)35)31-27(34)23-16-22(9-12-30-23)38-21-5-3-2-4-6-21/h2*3-10,15,20-21,27H,11-14,16-19,22H2,1-2H3,(H,34,38);2-9,13,17-18,25H,10-12,14-16,19-20H2,1H3,(H,32,35);2*2-9,12,15-16,24H,10-11,13-14,17-19H2,1H3,(H,31,34)/t27-;;;24-;/m1..1./s1.

What are the key properties of N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?

N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide has a molecular weight of 2669.13 g/mol, XLogP of 20.00, 25 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[(3R)-5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[5-methyl-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 158561203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).