1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide

C18H19N3O2 — CID 24820064

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccncc3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-13-2-4-14(5-3-13)11-21-12-15(10-17(21)22)18(23)20-16-6-8-19-9-7-16/h2-9,15H,10-12H2,1H3,(H,19,20,23)
InChIKeyTXCYFIHAUQROKB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 24820064) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID24820064
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccncc3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-13-2-4-14(5-3-13)11-21-12-15(10-17(21)22)18(23)20-16-6-8-19-9-7-16/h2-9,15H,10-12H2,1H3,(H,19,20,23)
InChIKeyTXCYFIHAUQROKB-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ximelegatran
CID 448042
4-Methyl-N-4-pyridinylbenzamide
CID 84517
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 648906
3-(4-tert-butylphenyl)-N-4-pyridinylacrylamide
CID 898426
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-3-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895787
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-4-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895815
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
4-Methyl-N-[2-pyridin-3-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5764752
1-(4-fluorophenyl)-5-oxo-N-(pyridin-3-yl)pyrrolidine-3-carboxamide
CID 6460126

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 24820064) is 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3ccncc3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is TXCYFIHAUQROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-2-4-14(5-3-13)11-21-12-15(10-17(21)22)18(23)20-16-6-8-19-9-7-16/h2-9,15H,10-12H2,1H3,(H,19,20,23).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 24820064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).