4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile

C14H13N3O — CID 62935538

IUPAC4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
SMILESCOc1cccc(N(C)c2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3O/c1-17(12-4-3-5-14(9-12)18-2)13-6-7-16-11(8-13)10-15/h3-9H,1-2H3
InChIKeySCTLSOWXCZREHW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds3

About 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile

4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile (PubChem CID 62935538) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
PubChem CID62935538
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
SMILESCOc1cccc(N(C)c2ccnc(C#N)c2)c1
InChIInChI=1S/C14H13N3O/c1-17(12-4-3-5-14(9-12)18-2)13-6-7-16-11(8-13)10-15/h3-9H,1-2H3
InChIKeySCTLSOWXCZREHW-UHFFFAOYSA-N
XLogP2.73
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142866
2-(3-methoxy-N-methylanilino)pyridine-3-carbonitrile
CID 62002258
4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
CID 62938149
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
3,5-difluoro-4-(3-methoxy-N-methylanilino)benzonitrile
CID 81283190
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 58360520
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
3-methoxy-N,N-disilylaniline
CID 149149494
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile (CID 62935538) is 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile is COc1cccc(N(C)c2ccnc(C#N)c2)c1.
What is the InChIKey of 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile?
The InChIKey is SCTLSOWXCZREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17(12-4-3-5-14(9-12)18-2)13-6-7-16-11(8-13)10-15/h3-9H,1-2H3.
What are the key properties of 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile?
4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62935538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).