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

C15H16N4 — CID 43707745

IUPAC4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
SMILESCN(C)c1ncccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C15H16N4/c1-19(2)15-14(4-3-9-17-15)18-11-13-7-5-12(10-16)6-8-13/h3-9,18H,11H2,1-2H3
InChIKeyANMNYJQIDVLSOZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.63
Rot. Bonds4

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

4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile (PubChem CID 43707745) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
PubChem CID43707745
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
SMILESCN(C)c1ncccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C15H16N4/c1-19(2)15-14(4-3-9-17-15)18-11-13-7-5-12(10-16)6-8-13/h3-9,18H,11H2,1-2H3
InChIKeyANMNYJQIDVLSOZ-UHFFFAOYSA-N
XLogP2.63
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784216
3-N-(furan-3-ylmethyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 63204353
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
4-[[5-chloro-2-(dimethylamino)anilino]methyl]benzonitrile
CID 43231331
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile (CID 43707745) is 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile is CN(C)c1ncccc1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
The InChIKey is ANMNYJQIDVLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(2)15-14(4-3-9-17-15)18-11-13-7-5-12(10-16)6-8-13/h3-9,18H,11H2,1-2H3.
What are the key properties of 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile?
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile is sourced from PubChem (CID 43707745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).