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

C25H30ClN5O3 — CID 77283179

IUPAC6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34)
InChIKeyNSDKXKSBLQGVMA-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.00
Rot. Bonds6

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

6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 77283179) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID77283179
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34)
InChIKeyNSDKXKSBLQGVMA-UHFFFAOYSA-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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Related Compounds

2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-ethylpyridine-4-carboxylic acid
CID 59534473
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-cyclobutyl-6-methylpyridine-4-carboxamide;hydrochloride
CID 71767814
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 147434115
2-[[(2R)-1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
CID 56967062
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N-dimethyl-4-propyl-1,3-thiazole-5-carboxamide
CID 59534425
1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 59534369
(2R)-N-(4-ethyl-2-pyridinyl)-1-[1-[(4-iodo-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 67115352
2-[[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidin-2-yl]-hydroxymethyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 138554768
(5R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-[hydroxy-[(4-methoxy-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 163878084
2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide
CID 123535035
(1R)-2-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-[1-(dimethylamino)pentyl]-6-methyl-2-pyridinyl]-3-oxo-1H-isoindole-1-carboxamide
CID 175422378
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide (CID 77283179) is 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(NC(=O)C2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.
What is the InChIKey of 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is NSDKXKSBLQGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34).
What are the key properties of 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide?
6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-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 6-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 77283179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).