6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile

C16H11ClN4 — CID 138556714

IUPAC6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(Nc2ccc3cc(Cl)ccc3n2)ccc1C#N
InChIInChI=1S/C16H11ClN4/c1-10-12(9-18)3-7-15(19-10)21-16-6-2-11-8-13(17)4-5-14(11)20-16/h2-8H,1H3,(H,19,20,21)
InChIKeyWFFJNVMWTLGNNI-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.21
Rot. Bonds2

About 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile

6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile (PubChem CID 138556714) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile
PubChem CID138556714
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(Nc2ccc3cc(Cl)ccc3n2)ccc1C#N
InChIInChI=1S/C16H11ClN4/c1-10-12(9-18)3-7-15(19-10)21-16-6-2-11-8-13(17)4-5-14(11)20-16/h2-8H,1H3,(H,19,20,21)
InChIKeyWFFJNVMWTLGNNI-UHFFFAOYSA-N
XLogP4.21
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide
CID 154848480
6-chloro-N-(4-ethyl-2-pyridinyl)quinolin-2-amine
CID 138556722
6-(tert-butylamino)-2-methylpyridine-3-carbonitrile
CID 102546520
6-(ethylamino)-2-methylpyridine-3-carbonitrile
CID 126981851
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
CID 59617943
N-(5-chloro-2-methylphenyl)quinolin-2-amine
CID 82536306
6-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-methylpyridine-3-carbonitrile
CID 118955978
2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 64918738

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile (CID 138556714) is 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile is Cc1nc(Nc2ccc3cc(Cl)ccc3n2)ccc1C#N.
What is the InChIKey of 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile?
The InChIKey is WFFJNVMWTLGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-10-12(9-18)3-7-15(19-10)21-16-6-2-11-8-13(17)4-5-14(11)20-16/h2-8H,1H3,(H,19,20,21).
What are the key properties of 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile?
6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile has a molecular weight of 294.75 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 138556714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).