N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H27N7O5 — CID 175053531

About N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 175053531) has the molecular formula C26H27N7O5 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 175053531
• Molecular Formula: C26H27N7O5
• Molecular Weight: 517.55 g/mol
• Exact Mass: 517.21
• IUPAC Name: N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4C=CC=COC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C26H27N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h3-4,7,9-11,13,15,17H,5-6,8,14,16H2,1-2H3,(H2,28,29,31,35)
• InChIKey: BUUXSBQEXKNLJG-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 149.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.55
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 175053531) is N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4C=CC=COC4=O)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is BUUXSBQEXKNLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h3-4,7,9-11,13,15,17H,5-6,8,14,16H2,1-2H3,(H2,28,29,31,35).

What are the key properties of N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(1-methoxypropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxo-1,3-oxazepin-3-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 175053531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).