N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

C30H24ClN3O2 — CID 118212256

About N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 118212256) has the molecular formula C30H24ClN3O2 and a molecular weight of 493.99 g/mol. Its IUPAC name is N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 118212256
• Molecular Formula: C30H24ClN3O2
• Molecular Weight: 493.99 g/mol
• Exact Mass: 493.16
• IUPAC Name: N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccc2cc(Cl)ccc2c1)c1cncc(Cc2ccc(Cc3ccc[nH]c3=O)cc2)c1
• InChI: InChI=1S/C30H24ClN3O2/c31-28-10-9-24-14-22(7-8-25(24)16-28)18-34-30(36)27-15-23(17-32-19-27)12-20-3-5-21(6-4-20)13-26-2-1-11-33-29(26)35/h1-11,14-17,19H,12-13,18H2,(H,33,35)(H,34,36)
• InChIKey: HZLLXUSCOUWILN-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.99
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 118212256) is N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc2cc(Cl)ccc2c1)c1cncc(Cc2ccc(Cc3ccc[nH]c3=O)cc2)c1.

What is the InChIKey of N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is HZLLXUSCOUWILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O2/c31-28-10-9-24-14-22(7-8-25(24)16-28)18-34-30(36)27-15-23(17-32-19-27)12-20-3-5-21(6-4-20)13-26-2-1-11-33-29(26)35/h1-11,14-17,19H,12-13,18H2,(H,33,35)(H,34,36).

What are the key properties of N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?

N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118212256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).