[(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide

C68H81Br3N20O5 — CID 161134930

About [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide

[(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide (PubChem CID 161134930) has the molecular formula C68H81Br3N20O5 and a molecular weight of 1498.24 g/mol. Its IUPAC name is [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide.

Molecular Properties

• Compound Name: [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide
• PubChem CID: 161134930
• Molecular Formula: C68H81Br3N20O5
• Molecular Weight: 1498.24 g/mol
• Exact Mass: 1494.42
• IUPAC Name: [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide
• SMILES: Brc1cccc(Br)n1.CCC(=O)N(C)c1cccc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1.CCC(=O)NC.C[C@@H]1CCN(c2cccc(Br)n2)CCN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CCNCCN1C(=O)c1ccccc1-n1nccn1
• InChI: InChI=1S/C24H29N7O2.C20H21BrN6O.C15H19N5O.C5H3Br2N.C4H9NO/c1-4-23(32)28(3)21-10-7-11-22(27-21)29-15-12-18(2)30(17-16-29)24(33)19-8-5-6-9-20(19)31-25-13-14-26-31;1-15-9-12-25(19-8-4-7-18(21)24-19)13-14-26(15)20(28)16-5-2-3-6-17(16)27-22-10-11-23-27;1-12-6-7-16-10-11-19(12)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;6-4-2-1-3-5(7)8-4;1-3-4(6)5-2/h5-11,13-14,18H,4,12,15-17H2,1-3H3;2-8,10-11,15H,9,12-14H2,1H3;2-5,8-9,12,16H,6-7,10-11H2,1H3;1-3H;3H2,1-2H3,(H,5,6)/t18-;15-;12-;;/m111../s1
• InChIKey: UMQZNWFOGAMHQR-COMYFWJWSA-N
• XLogP: 9.78
• TPSA: 259.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.24
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide?

The IUPAC name of [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide (CID 161134930) is [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide.

What is the SMILES notation for [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide?

The canonical SMILES for [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide is Brc1cccc(Br)n1.CCC(=O)N(C)c1cccc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)n1.CCC(=O)NC.C[C@@H]1CCN(c2cccc(Br)n2)CCN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CCNCCN1C(=O)c1ccccc1-n1nccn1.

What is the InChIKey of [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide?

The InChIKey is UMQZNWFOGAMHQR-COMYFWJWSA-N. The full InChI is InChI=1S/C24H29N7O2.C20H21BrN6O.C15H19N5O.C5H3Br2N.C4H9NO/c1-4-23(32)28(3)21-10-7-11-22(27-21)29-15-12-18(2)30(17-16-29)24(33)19-8-5-6-9-20(19)31-25-13-14-26-31;1-15-9-12-25(19-8-4-7-18(21)24-19)13-14-26(15)20(28)16-5-2-3-6-17(16)27-22-10-11-23-27;1-12-6-7-16-10-11-19(12)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;6-4-2-1-3-5(7)8-4;1-3-4(6)5-2/h5-11,13-14,18H,4,12,15-17H2,1-3H3;2-8,10-11,15H,9,12-14H2,1H3;2-5,8-9,12,16H,6-7,10-11H2,1H3;1-3H;3H2,1-2H3,(H,5,6)/t18-;15-;12-;;/m111../s1.

What are the key properties of [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide?

[(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide has a molecular weight of 1498.24 g/mol, XLogP of 9.78, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-4-(6-bromo-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2,6-dibromopyridine;[(7R)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methyl-N-[6-[(5R)-5-methyl-4-[2-(triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-2-pyridinyl]propanamide;N-methylpropanamide is sourced from PubChem (CID 161134930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).