5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C12H16ClN3O — CID 133357797

IUPAC5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncc(C(N)=O)cc2Cl)C1C
InChIInChI=1S/C12H16ClN3O/c1-7-3-4-16(8(7)2)12-10(13)5-9(6-15-12)11(14)17/h5-8H,3-4H2,1-2H3,(H2,14,17)
InChIKeyNLNXKFJYJPBFNY-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.07
Rot. Bonds2

About 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide

5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 133357797) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID133357797
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncc(C(N)=O)cc2Cl)C1C
InChIInChI=1S/C12H16ClN3O/c1-7-3-4-16(8(7)2)12-10(13)5-9(6-15-12)11(14)17/h5-8H,3-4H2,1-2H3,(H2,14,17)
InChIKeyNLNXKFJYJPBFNY-UHFFFAOYSA-N
XLogP2.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
CID 100901224
5-chloro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56814395
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 94124833
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330
(3S)-2-(5-carbamoyl-3-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 167800310
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
5-chloro-6-(1,2-oxazolidin-2-yl)pyridine-3-carboxamide
CID 86789297
6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80631782
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 128978334
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 133357797) is 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncc(C(N)=O)cc2Cl)C1C.
What is the InChIKey of 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is NLNXKFJYJPBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7-3-4-16(8(7)2)12-10(13)5-9(6-15-12)11(14)17/h5-8H,3-4H2,1-2H3,(H2,14,17).
What are the key properties of 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133357797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).