5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide

C12H17ClN4O3S — CID 95140836

IUPAC5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C12H17ClN4O3S/c1-21(19,20)17-4-2-3-9(7-17)16-12-10(13)5-8(6-15-12)11(14)18/h5-6,9H,2-4,7H2,1H3,(H2,14,18)(H,15,16)/t9-/m0/s1
InChIKeyXFOUUSIKLGGCNI-VIFPVBQESA-N
MW332.81 g/mol
LogP0.67
Rot. Bonds4

About 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide

5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 95140836) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID95140836
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](Nc2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C12H17ClN4O3S/c1-21(19,20)17-4-2-3-9(7-17)16-12-10(13)5-8(6-15-12)11(14)18/h5-6,9H,2-4,7H2,1H3,(H2,14,18)(H,15,16)/t9-/m0/s1
InChIKeyXFOUUSIKLGGCNI-VIFPVBQESA-N
XLogP0.67
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
CID 114100429
ethyl 5-chloro-6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 68960873
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 58896827
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
5-chloro-4-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 166240638
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide (CID 95140836) is 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](Nc2ncc(C(N)=O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is XFOUUSIKLGGCNI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-21(19,20)17-4-2-3-9(7-17)16-12-10(13)5-8(6-15-12)11(14)18/h5-6,9H,2-4,7H2,1H3,(H2,14,18)(H,15,16)/t9-/m0/s1.
What are the key properties of 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide?
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 95140836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).