6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile

C18H17ClN4O — CID 96549568

IUPAC6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
SMILESN#Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H17ClN4O/c19-16-9-13(10-20)11-21-17(16)22-15-7-4-8-23(12-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,9,11,15H,4,7-8,12H2,(H,21,22)/t15-/m1/s1
InChIKeyKDFHKSBEOORTHJ-OAHLLOKOSA-N
MW340.81 g/mol
LogP3.32
Rot. Bonds3

About 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile

6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile (PubChem CID 96549568) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
PubChem CID96549568
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
SMILESN#Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(Cl)c1
InChIInChI=1S/C18H17ClN4O/c19-16-9-13(10-20)11-21-17(16)22-15-7-4-8-23(12-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,9,11,15H,4,7-8,12H2,(H,21,22)/t15-/m1/s1
InChIKeyKDFHKSBEOORTHJ-OAHLLOKOSA-N
XLogP3.32
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile with MolForge

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Related Compounds

methyl 3-[(3-chloro-5-cyano-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385695
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581732
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
3-[6-[[(3R)-1-benzoylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 90726235
(5-hydroxy-2-adamantyl) 3-[(3-chloro-5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 76747223
(3S)-3-[[7-cyano-2-(2-phenylethynyl)thieno[3,2-c]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 69009342
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129473562

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile?
The IUPAC name of 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile (CID 96549568) is 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile is N#Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(Cl)c1.
What is the InChIKey of 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile?
The InChIKey is KDFHKSBEOORTHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-16-9-13(10-20)11-21-17(16)22-15-7-4-8-23(12-15)18(24)14-5-2-1-3-6-14/h1-3,5-6,9,11,15H,4,7-8,12H2,(H,21,22)/t15-/m1/s1.
What are the key properties of 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile?
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile has a molecular weight of 340.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile is sourced from PubChem (CID 96549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).