N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide

C33H39N3O3 — CID 177196998

About N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide

N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide (PubChem CID 177196998) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide
• PubChem CID: 177196998
• Molecular Formula: C33H39N3O3
• Molecular Weight: 525.69 g/mol
• Exact Mass: 525.30
• IUPAC Name: N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=C2CCN(C)CC2)c2ccc([C@@H](C)NC(=O)c3cncc(OC4CCOCC4)c3)cc2)cc1
• InChI: InChI=1S/C33H39N3O3/c1-23-4-6-26(7-5-23)32(28-12-16-36(3)17-13-28)27-10-8-25(9-11-27)24(2)35-33(37)29-20-31(22-34-21-29)39-30-14-18-38-19-15-30/h4-11,20-22,24,30H,12-19H2,1-3H3,(H,35,37)/t24-/m1/s1
• InChIKey: CEZQHQDHHYDMKE-XMMPIXPASA-N
• XLogP: 5.97
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.69
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide?

The IUPAC name of N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide (CID 177196998) is N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide is Cc1ccc(C(=C2CCN(C)CC2)c2ccc([C@@H](C)NC(=O)c3cncc(OC4CCOCC4)c3)cc2)cc1.

What is the InChIKey of N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide?

The InChIKey is CEZQHQDHHYDMKE-XMMPIXPASA-N. The full InChI is InChI=1S/C33H39N3O3/c1-23-4-6-26(7-5-23)32(28-12-16-36(3)17-13-28)27-10-8-25(9-11-27)24(2)35-33(37)29-20-31(22-34-21-29)39-30-14-18-38-19-15-30/h4-11,20-22,24,30H,12-19H2,1-3H3,(H,35,37)/t24-/m1/s1.

What are the key properties of N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide?

N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide has a molecular weight of 525.69 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 177196998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).