2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide

C29H36ClN5O3 — CID 56967064

About 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide (PubChem CID 56967064) has the molecular formula C29H36ClN5O3 and a molecular weight of 538.09 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide
• PubChem CID: 56967064
• Molecular Formula: C29H36ClN5O3
• Molecular Weight: 538.09 g/mol
• Exact Mass: 537.25
• IUPAC Name: 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide
• SMILES: Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C4CC4)n3)CC2)ccc1Cl
• InChI: InChI=1S/C29H36ClN5O3/c1-18-14-19(4-7-23(18)30)17-34-12-10-22(11-13-34)35-25(8-9-27(35)36)28(37)32-26-16-21(29(38)33(2)3)15-24(31-26)20-5-6-20/h4,7,14-16,20,22,25H,5-6,8-13,17H2,1-3H3,(H,31,32,37)/t25-/m1/s1
• InChIKey: PSQWVAHRODEKJJ-RUZDIDTESA-N
• XLogP: 4.22
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.09
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide?

The IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide (CID 56967064) is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide.

What is the SMILES notation for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide?

The canonical SMILES for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide is Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C4CC4)n3)CC2)ccc1Cl.

What is the InChIKey of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide?

The InChIKey is PSQWVAHRODEKJJ-RUZDIDTESA-N. The full InChI is InChI=1S/C29H36ClN5O3/c1-18-14-19(4-7-23(18)30)17-34-12-10-22(11-13-34)35-25(8-9-27(35)36)28(37)32-26-16-21(29(38)33(2)3)15-24(31-26)20-5-6-20/h4,7,14-16,20,22,25H,5-6,8-13,17H2,1-3H3,(H,31,32,37)/t25-/m1/s1.

What are the key properties of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide?

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 538.09 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 56967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).