2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile

C13H12N4O — CID 114765734

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(C)n2)cn1
InChIInChI=1S/C13H12N4O/c1-9-5-10(7-14)6-12(16-9)17-11-3-4-13(18-2)15-8-11/h3-6,8H,1-2H3,(H,16,17)
InChIKeyFEYISVWMPISKKJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.41
Rot. Bonds3

About 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile

2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765734) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114765734
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCOc1ccc(Nc2cc(C#N)cc(C)n2)cn1
InChIInChI=1S/C13H12N4O/c1-9-5-10(7-14)6-12(16-9)17-11-3-4-13(18-2)15-8-11/h3-6,8H,1-2H3,(H,16,17)
InChIKeyFEYISVWMPISKKJ-UHFFFAOYSA-N
XLogP2.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053207
5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
CID 114765404
2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117090011
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile (CID 114765734) is 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile is COc1ccc(Nc2cc(C#N)cc(C)n2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is FEYISVWMPISKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-5-10(7-14)6-12(16-9)17-11-3-4-13(18-2)15-8-11/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile?
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).