2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile

C20H18ClN5O — CID 166632372

IUPAC2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCCCC4)c3c2)ccnc1Cl
InChIInChI=1S/C20H18ClN5O/c21-20-15(12-22)17(6-7-23-20)24-13-4-5-16-14(10-13)18(11-19(27)25-16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,23,24)(H,25,27)
InChIKeyKCUHYCIGBCKRTB-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.18
Rot. Bonds3

About 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile

2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile (PubChem CID 166632372) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
PubChem CID166632372
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCCCC4)c3c2)ccnc1Cl
InChIInChI=1S/C20H18ClN5O/c21-20-15(12-22)17(6-7-23-20)24-13-4-5-16-14(10-13)18(11-19(27)25-16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,23,24)(H,25,27)
InChIKeyKCUHYCIGBCKRTB-UHFFFAOYSA-N
XLogP4.18
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385752
2-Chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385909
(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 142478375
2-chloro-4-[[(2S)-2,7-dimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171979
2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 162368330
(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
CID 162368332
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
4-[(3-chloro-N-pyridin-4-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57403909
US11161839, Example 1a
CID 135385641
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797
US11161839, Example 10f
CID 142478222
US20230287003, Example 1c
CID 146172016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile (CID 166632372) is 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile is N#Cc1c(Nc2ccc3[nH]c(=O)cc(N4CCCCC4)c3c2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
The InChIKey is KCUHYCIGBCKRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-20-15(12-22)17(6-7-23-20)24-13-4-5-16-14(10-13)18(11-19(27)25-16)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,23,24)(H,25,27).
What are the key properties of 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile?
2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile has a molecular weight of 379.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-oxo-4-piperidin-1-yl-1H-quinolin-6-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 166632372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).