N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine

C62H66Cl2N12O7 — CID 159181327

About N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine

N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 159181327) has the molecular formula C62H66Cl2N12O7 and a molecular weight of 1162.19 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine
• PubChem CID: 159181327
• Molecular Formula: C62H66Cl2N12O7
• Molecular Weight: 1162.19 g/mol
• Exact Mass: 1160.46
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(C=O)cnc32)C1.CN(Cc1cccnc1)Cc1cnc2c(c1)cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1.CNCc1cccnc1
• InChI: InChI=1S/C31H33ClN6O3.C24H23ClN4O4.C7H10N2/c1-31(2)19-37(20-31)27(39)18-38-28-24(11-23(15-34-28)17-36(3)16-22-5-4-10-33-13-22)12-26(30(38)41)29(40)35-14-21-6-8-25(32)9-7-21;1-24(2)13-28(14-24)20(31)11-29-21-17(7-16(12-30)10-26-21)8-19(23(29)33)22(32)27-9-15-3-5-18(25)6-4-15;1-8-5-7-3-2-4-9-6-7/h4-13,15H,14,16-20H2,1-3H3,(H,35,40);3-8,10,12H,9,11,13-14H2,1-2H3,(H,27,32);2-4,6,8H,5H2,1H3
• InChIKey: KMXVJNKJOGKZGR-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 226.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.19
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine (CID 159181327) is N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(C=O)cnc32)C1.CN(Cc1cccnc1)Cc1cnc2c(c1)cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1.CNCc1cccnc1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine?

The InChIKey is KMXVJNKJOGKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN6O3.C24H23ClN4O4.C7H10N2/c1-31(2)19-37(20-31)27(39)18-38-28-24(11-23(15-34-28)17-36(3)16-22-5-4-10-33-13-22)12-26(30(38)41)29(40)35-14-21-6-8-25(32)9-7-21;1-24(2)13-28(14-24)20(31)11-29-21-17(7-16(12-30)10-26-21)8-19(23(29)33)22(32)27-9-15-3-5-18(25)6-4-15;1-8-5-7-3-2-4-9-6-7/h4-13,15H,14,16-20H2,1-3H3,(H,35,40);3-8,10,12H,9,11,13-14H2,1-2H3,(H,27,32);2-4,6,8H,5H2,1H3.

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine?

N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 1162.19 g/mol, XLogP of 7.34, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-formyl-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 159181327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).