2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile

C16H11ClN4O — CID 162368333

IUPAC2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESCn1c(=O)ccc2cc(Nc3ccnc(Cl)c3C#N)ccc21
InChIInChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20)
InChIKeyLTKFHNPECDMZIC-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.20
Rot. Bonds2

About 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile

2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile (PubChem CID 162368333) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile
PubChem CID162368333
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile
SMILESCn1c(=O)ccc2cc(Nc3ccnc(Cl)c3C#N)ccc21
InChIInChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20)
InChIKeyLTKFHNPECDMZIC-UHFFFAOYSA-N
XLogP3.20
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146171902
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-chloro-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
CID 146188987
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
3-(2,6-dichlorophenyl)-N-(4-pyridinyl)acrylamide
CID 903240
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
5-(4-chlorophenyl)-1H-1,6-naphthyridin-2-one
CID 15696722
N-{4-[(3-Chloro-4-fluoro-phenyl)amino]-3-cyano-6-quinolinyl}-2-butynamide
CID 22466664
4-[(3-chloro-N-pyridin-4-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57403909
2-[[6-[(2-chloro-3-cyano-4-pyridinyl)amino]-1-methyl-2-oxoquinolin-4-yl]amino]-N-methylpropanamide
CID 135386797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile (CID 162368333) is 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile is Cn1c(=O)ccc2cc(Nc3ccnc(Cl)c3C#N)ccc21.
What is the InChIKey of 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile?
The InChIKey is LTKFHNPECDMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20).
What are the key properties of 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile?
2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile has a molecular weight of 310.74 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-methyl-2-oxoquinolin-6-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 162368333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).