N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C13H18N4O2 — CID 135095238

IUPACN-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C(=O)NC)C1
InChIInChI=1S/C13H18N4O2/c1-14-12(18)9-5-7-17(8-9)11-10(13(19)15-2)4-3-6-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyBWDXCWLAKVOFFA-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.01
Rot. Bonds3

About N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 135095238) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID135095238
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C(=O)NC)C1
InChIInChI=1S/C13H18N4O2/c1-14-12(18)9-5-7-17(8-9)11-10(13(19)15-2)4-3-6-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyBWDXCWLAKVOFFA-UHFFFAOYSA-N
XLogP0.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133362039
N-methyl-2-[(3R)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129488885
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133316798
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 135095238) is N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(C(=O)NC)C1.
What is the InChIKey of N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is BWDXCWLAKVOFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-12(18)9-5-7-17(8-9)11-10(13(19)15-2)4-3-6-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135095238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).