5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile

C17H16ClN5O — CID 124885543

IUPAC5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1c(Cl)cnc(N[C@H]2CCCN(c3cccnc3)C2=O)c1C#N
InChIInChI=1S/C17H16ClN5O/c1-11-13(8-19)16(21-10-14(11)18)22-15-5-3-7-23(17(15)24)12-4-2-6-20-9-12/h2,4,6,9-10,15H,3,5,7H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyGZCYOHUPNORTKS-HNNXBMFYSA-N
MW341.80 g/mol
LogP2.92
Rot. Bonds3

About 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile

5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 124885543) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID124885543
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCc1c(Cl)cnc(N[C@H]2CCCN(c3cccnc3)C2=O)c1C#N
InChIInChI=1S/C17H16ClN5O/c1-11-13(8-19)16(21-10-14(11)18)22-15-5-3-7-23(17(15)24)12-4-2-6-20-9-12/h2,4,6,9-10,15H,3,5,7H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyGZCYOHUPNORTKS-HNNXBMFYSA-N
XLogP2.92
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 129447691
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124721637
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile (CID 124885543) is 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile is Cc1c(Cl)cnc(N[C@H]2CCCN(c3cccnc3)C2=O)c1C#N.
What is the InChIKey of 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is GZCYOHUPNORTKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-13(8-19)16(21-10-14(11)18)22-15-5-3-7-23(17(15)24)12-4-2-6-20-9-12/h2,4,6,9-10,15H,3,5,7H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 341.80 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 124885543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).