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

C14H21N3O2 — CID 103764726

IUPAC2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)17-6-4-11(9-17)8-16-14(19)12-3-5-15-13(18)7-12/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCSSWISIKXMHCNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.83
Rot. Bonds4

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

2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide (PubChem CID 103764726) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
PubChem CID103764726
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-10(2)17-6-4-11(9-17)8-16-14(19)12-3-5-15-13(18)7-12/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCSSWISIKXMHCNI-UHFFFAOYSA-N
XLogP0.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide (CID 103764726) is 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide is CC(C)N1CCC(CNC(=O)c2cc[nH]c(=O)c2)C1.
What is the InChIKey of 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide?
The InChIKey is CSSWISIKXMHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)17-6-4-11(9-17)8-16-14(19)12-3-5-15-13(18)7-12/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide?
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).