N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide

C22H26N4O2 — CID 97438215

IUPACN-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC(=O)N1c1cccc(NC(=O)N2CCC(c3ccncc3)CC2)c1
InChIInChI=1S/C22H26N4O2/c1-16-5-6-21(27)26(16)20-4-2-3-19(15-20)24-22(28)25-13-9-18(10-14-25)17-7-11-23-12-8-17/h2-4,7-8,11-12,15-16,18H,5-6,9-10,13-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyZMPCSDASJBDYMQ-MRXNPFEDSA-N
MW378.48 g/mol
LogP4.01
Rot. Bonds3

About N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide

N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 97438215) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID97438215
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CCC(=O)N1c1cccc(NC(=O)N2CCC(c3ccncc3)CC2)c1
InChIInChI=1S/C22H26N4O2/c1-16-5-6-21(27)26(16)20-4-2-3-19(15-20)24-22(28)25-13-9-18(10-14-25)17-7-11-23-12-8-17/h2-4,7-8,11-12,15-16,18H,5-6,9-10,13-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyZMPCSDASJBDYMQ-MRXNPFEDSA-N
XLogP4.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide
CID 146372978
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide (CID 97438215) is N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide is C[C@@H]1CCC(=O)N1c1cccc(NC(=O)N2CCC(c3ccncc3)CC2)c1.
What is the InChIKey of N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is ZMPCSDASJBDYMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-5-6-21(27)26(16)20-4-2-3-19(15-20)24-22(28)25-13-9-18(10-14-25)17-7-11-23-12-8-17/h2-4,7-8,11-12,15-16,18H,5-6,9-10,13-14H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97438215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).