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

C25H30ClN5O3 — CID 56966925

IUPAC2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
InChIKeyWMXKEASINWPVKA-OAQYLSRUSA-N
MW484.00 g/mol
LogP3.00
Rot. Bonds6

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

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide (PubChem CID 56966925) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide
PubChem CID56966925
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
InChIKeyWMXKEASINWPVKA-OAQYLSRUSA-N
XLogP3.00
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide (CID 56966925) is 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-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]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.
What is the InChIKey of 2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide?
The InChIKey is WMXKEASINWPVKA-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/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]-N-methylpyridine-4-carboxamide?
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-4-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 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]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 56966925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).