N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide

C21H24N4O3 — CID 39023396

IUPACN-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-15-4-6-16(7-5-15)13-25-14-18(11-19(25)26)21(28)24-10-9-23-20(27)17-3-2-8-22-12-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyLSQQHNYJKXOYSW-GOSISDBHSA-N
MW380.45 g/mol
LogP1.28
Rot. Bonds7

About N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 39023396) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID39023396
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CN2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-15-4-6-16(7-5-15)13-25-14-18(11-19(25)26)21(28)24-10-9-23-20(27)17-3-2-8-22-12-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyLSQQHNYJKXOYSW-GOSISDBHSA-N
XLogP1.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925934
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78781061
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28786699
(3R)-N-[2-(N-methylanilino)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97279150
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-(2-benzylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74237202
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29261393

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 39023396) is N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide is Cc1ccc(CN2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1.
What is the InChIKey of N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is LSQQHNYJKXOYSW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-4-6-16(7-5-15)13-25-14-18(11-19(25)26)21(28)24-10-9-23-20(27)17-3-2-8-22-12-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1.
What are the key properties of N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39023396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).