5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile

C15H15ClN6O — CID 129473562

IUPAC5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c(Cl)c1
InChIInChI=1S/C15H15ClN6O/c16-12-6-10(7-17)8-20-13(12)21-11-2-1-5-22(9-11)14-15(23)19-4-3-18-14/h3-4,6,8,11H,1-2,5,9H2,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyIHFUHQFSUHNMMR-NSHDSACASA-N
MW330.78 g/mol
LogP1.77
Rot. Bonds3

About 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile

5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 129473562) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID129473562
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c(Cl)c1
InChIInChI=1S/C15H15ClN6O/c16-12-6-10(7-17)8-20-13(12)21-11-2-1-5-22(9-11)14-15(23)19-4-3-18-14/h3-4,6,8,11H,1-2,5,9H2,(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyIHFUHQFSUHNMMR-NSHDSACASA-N
XLogP1.77
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468
3-[3-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 128998768
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 171358910
3-[(3S)-3-(4-chloro-2-nitroanilino)piperidin-1-yl]-1H-pyrazin-2-one
CID 125138336
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
methyl 3-[(3-chloro-5-cyano-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385695

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 129473562) is 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1cnc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is IHFUHQFSUHNMMR-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-12-6-10(7-17)8-20-13(12)21-11-2-1-5-22(9-11)14-15(23)19-4-3-18-14/h3-4,6,8,11H,1-2,5,9H2,(H,19,23)(H,20,21)/t11-/m0/s1.
What are the key properties of 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile?
5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 330.78 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 129473562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).