4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile

C16H18N4O — CID 43678951

IUPAC4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
SMILESCOc1nccc(N(C)C)c1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H18N4O/c1-20(2)14-8-9-18-16(21-3)15(14)19-11-13-6-4-12(10-17)5-7-13/h4-9,19H,11H2,1-3H3
InChIKeyRIPHRJUXZYVOAW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds5

About 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile

4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile (PubChem CID 43678951) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
PubChem CID43678951
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
SMILESCOc1nccc(N(C)C)c1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H18N4O/c1-20(2)14-8-9-18-16(21-3)15(14)19-11-13-6-4-12(10-17)5-7-13/h4-9,19H,11H2,1-3H3
InChIKeyRIPHRJUXZYVOAW-UHFFFAOYSA-N
XLogP2.64
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
CID 115951113
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
4-[[5-chloro-2-(dimethylamino)anilino]methyl]benzonitrile
CID 43231331
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
4-[[(8-chloro-2-methoxy-1,7-naphthyridin-3-yl)methylamino]methyl]benzonitrile
CID 169147026

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile (CID 43678951) is 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile is COc1nccc(N(C)C)c1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile?
The InChIKey is RIPHRJUXZYVOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)14-8-9-18-16(21-3)15(14)19-11-13-6-4-12(10-17)5-7-13/h4-9,19H,11H2,1-3H3.
What are the key properties of 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile?
4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile is sourced from PubChem (CID 43678951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).