6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 104955353

IUPAC6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC[C@@H]2CCCN2)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-7-12(17)11(8-16-9)13(18)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyALCOTOLKQLLFJI-JTQLQIEISA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds4

About 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide (PubChem CID 104955353) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
PubChem CID104955353
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC[C@@H]2CCCN2)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-7-12(17)11(8-16-9)13(18)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyALCOTOLKQLLFJI-JTQLQIEISA-N
XLogP0.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
CID 104972179
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
CID 104971654
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide (CID 104955353) is 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC[C@@H]2CCCN2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is ALCOTOLKQLLFJI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-12(17)11(8-16-9)13(18)15-6-4-10-3-2-5-14-10/h7-8,10,14H,2-6H2,1H3,(H,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104955353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).