N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C32H37N5O3 — CID 118144210

About N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118144210) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118144210
• Molecular Formula: C32H37N5O3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.29
• IUPAC Name: N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc4c(c3)C(C)N(C)C4=O)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
• InChI: InChI=1S/C32H37N5O3/c1-19(2)34-29-11-9-25(18-33-29)30(38)35-28-17-24(7-6-20(28)3)31(39)37-14-12-22(13-15-37)23-8-10-26-27(16-23)21(4)36(5)32(26)40/h6-11,16-19,21-22H,12-15H2,1-5H3,(H,33,34)(H,35,38)
• InChIKey: QJWDLERCHBOWPF-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118144210) is N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc4c(c3)C(C)N(C)C4=O)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.

What is the InChIKey of N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is QJWDLERCHBOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-19(2)34-29-11-9-25(18-33-29)30(38)35-28-17-24(7-6-20(28)3)31(39)37-14-12-22(13-15-37)23-8-10-26-27(16-23)21(4)36(5)32(26)40/h6-11,16-19,21-22H,12-15H2,1-5H3,(H,33,34)(H,35,38).

What are the key properties of N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 539.68 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118144210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).