N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C14H19N3O2 — CID 110737220

IUPACN-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCC(C)N1CC(CNC(=O)c2ccncc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-10(2)17-9-11(7-13(17)18)8-16-14(19)12-3-5-15-6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)
InChIKeyBGLUOSBDAMGHMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds4

About N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 110737220) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID110737220
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCC(C)N1CC(CNC(=O)c2ccncc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-10(2)17-9-11(7-13(17)18)8-16-14(19)12-3-5-15-6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)
InChIKeyBGLUOSBDAMGHMC-UHFFFAOYSA-N
XLogP1.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 91768311
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
2-methoxy-6-methyl-N-[[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]benzamide
CID 125163766
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119826
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 110749341
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-4-carboxamide
CID 110710356
3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737248
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 168661593
(3R)-5-oxo-1-[2-(pyridine-4-carbonylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 95121214

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 110737220) is N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is CC(C)N1CC(CNC(=O)c2ccncc2)CC1=O.
What is the InChIKey of N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BGLUOSBDAMGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)17-9-11(7-13(17)18)8-16-14(19)12-3-5-15-6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110737220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).