N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide

C30H40ClN5O2 — CID 91284722

About N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide (PubChem CID 91284722) has the molecular formula C30H40ClN5O2 and a molecular weight of 538.14 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide
• PubChem CID: 91284722
• Molecular Formula: C30H40ClN5O2
• Molecular Weight: 538.14 g/mol
• Exact Mass: 537.29
• IUPAC Name: N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide
• SMILES: Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)N2CCCCC2)cc1Cl
• InChI: InChI=1S/C30H40ClN5O2/c1-21-8-9-26(16-27(21)31)36(30(38)34-13-5-4-6-14-34)15-7-12-33-17-24-19-35(20-25(24)18-33)29(37)28-22(2)10-11-32-23(28)3/h8-11,16,24-25H,4-7,12-15,17-20H2,1-3H3
• InChIKey: IRFASJHANJPSQS-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 59.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.14
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide (CID 91284722) is N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide is Cc1ccc(N(CCCN2CC3CN(C(=O)c4c(C)ccnc4C)CC3C2)C(=O)N2CCCCC2)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide?

The InChIKey is IRFASJHANJPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN5O2/c1-21-8-9-26(16-27(21)31)36(30(38)34-13-5-4-6-14-34)15-7-12-33-17-24-19-35(20-25(24)18-33)29(37)28-22(2)10-11-32-23(28)3/h8-11,16,24-25H,4-7,12-15,17-20H2,1-3H3.

What are the key properties of N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide?

N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide has a molecular weight of 538.14 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4-dimethylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 91284722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).