2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile

C15H15N3O — CID 1475667

IUPAC2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C15H15N3O/c1-10-4-5-12(8-11(10)2)18-15-13(9-16)14(19-3)6-7-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyZQDFFJVVKLVPMN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.32
Rot. Bonds3

About 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile

2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile (PubChem CID 1475667) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile
PubChem CID1475667
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Nc2ccc(C)c(C)c2)c1C#N
InChIInChI=1S/C15H15N3O/c1-10-4-5-12(8-11(10)2)18-15-13(9-16)14(19-3)6-7-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyZQDFFJVVKLVPMN-UHFFFAOYSA-N
XLogP3.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 1470924
2-[(4-Chlorobenzyl)amino]-4-methoxynicotinonitrile
CID 1474323
4-Methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}nicotinonitrile
CID 1487144
4-Methoxy-2-[(3-pyridinylmethyl)amino]nicotinonitrile
CID 1487431
4-Methoxy-2-(4-methoxyanilino)nicotinonitrile
CID 1475657
4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile
CID 1487433
2-[(4-Methoxy-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912181
2-[(4-Methoxy-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
CID 164912206
1-(5-Cyano-4-methoxy-2-pyridinyl)-2-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]guanidine
CID 155810912
4-Methoxy-2-(3-toluidino)nicotinonitrile
CID 1475652
4-(4-Methoxypyrimidin-2-ylamino)benzonitrile
CID 52270696
6-[(2-Methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 24706964

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile (CID 1475667) is 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile is COc1ccnc(Nc2ccc(C)c(C)c2)c1C#N.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile?
The InChIKey is ZQDFFJVVKLVPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-4-5-12(8-11(10)2)18-15-13(9-16)14(19-3)6-7-17-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile?
2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1475667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).