5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide

C14H15ClN4O3S — CID 146154675

IUPAC5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ncc(C(=O)NS(C)(=O)=O)cc1Cl)c1cccnc1
InChIInChI=1S/C14H15ClN4O3S/c1-9(10-4-3-5-16-7-10)18-13-12(15)6-11(8-17-13)14(20)19-23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVPHXPXUGPCWQET-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.99
Rot. Bonds5

About 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide

5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide (PubChem CID 146154675) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide
PubChem CID146154675
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ncc(C(=O)NS(C)(=O)=O)cc1Cl)c1cccnc1
InChIInChI=1S/C14H15ClN4O3S/c1-9(10-4-3-5-16-7-10)18-13-12(15)6-11(8-17-13)14(20)19-23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVPHXPXUGPCWQET-UHFFFAOYSA-N
XLogP1.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide
CID 154807491
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
(3S)-3-[[5-chloro-6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]amino]-3-(4-ethylsulfonylphenyl)propanoic acid
CID 166650309
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
5-chloro-6-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 62172922
1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 166182491
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide (CID 146154675) is 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide is CC(Nc1ncc(C(=O)NS(C)(=O)=O)cc1Cl)c1cccnc1.
What is the InChIKey of 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide?
The InChIKey is VPHXPXUGPCWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c1-9(10-4-3-5-16-7-10)18-13-12(15)6-11(8-17-13)14(20)19-23(2,21)22/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide?
5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methylsulfonyl-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 146154675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).