4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide

C12H16N4O2 — CID 171704184

IUPAC4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)C1CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C12H16N4O2/c1-14-12(18)8-3-5-16(7-8)9-2-4-15-10(6-9)11(13)17/h2,4,6,8H,3,5,7H2,1H3,(H2,13,17)(H,14,18)
InChIKeyPAFRTILTSXHNKC-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.25
Rot. Bonds3

About 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide

4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 171704184) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID171704184
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)C1CCN(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C12H16N4O2/c1-14-12(18)8-3-5-16(7-8)9-2-4-15-10(6-9)11(13)17/h2,4,6,8H,3,5,7H2,1H3,(H2,13,17)(H,14,18)
InChIKeyPAFRTILTSXHNKC-UHFFFAOYSA-N
XLogP-0.25
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63241227
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
CID 129497903
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 171704184) is 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide is CNC(=O)C1CCN(c2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is PAFRTILTSXHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-14-12(18)8-3-5-16(7-8)9-2-4-15-10(6-9)11(13)17/h2,4,6,8H,3,5,7H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171704184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).