2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile

C15H16N4 — CID 102623899

IUPAC2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
SMILESCN(Cc1ccncc1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H16N4/c1-19(11-12-5-8-18-9-6-12)14-2-3-15(17)13(10-14)4-7-16/h2-3,5-6,8-10H,4,11,17H2,1H3
InChIKeyBNKWTKHTUYPNSP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.37
Rot. Bonds4

About 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile

2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile (PubChem CID 102623899) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
PubChem CID102623899
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
SMILESCN(Cc1ccncc1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H16N4/c1-19(11-12-5-8-18-9-6-12)14-2-3-15(17)13(10-14)4-7-16/h2-3,5-6,8-10H,4,11,17H2,1H3
InChIKeyBNKWTKHTUYPNSP-UHFFFAOYSA-N
XLogP2.37
TPSA65.94 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[benzyl(methyl)amino]phenyl]acetonitrile
CID 102623676
2-[2-amino-5-[ethyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102624019
2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
CID 102624011
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
2-[2-amino-5-[2,2-difluoroethyl(methyl)amino]phenyl]acetonitrile
CID 102624712
2-[4-amino-3-(cyanomethyl)-N-methylanilino]acetic acid
CID 102624225
2-[2-amino-5-[methyl(3-phenylpropyl)amino]phenyl]acetonitrile
CID 102623928
2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile
CID 102623942
1-N-methyl-4-nitro-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 106751455
2-[2-amino-5-[cycloheptyl(methyl)amino]phenyl]acetonitrile
CID 102623938
2-[2-amino-5-[benzyl(cyclopropyl)amino]phenyl]acetonitrile
CID 102623913

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile (CID 102623899) is 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile is CN(Cc1ccncc1)c1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile?
The InChIKey is BNKWTKHTUYPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(11-12-5-8-18-9-6-12)14-2-3-15(17)13(10-14)4-7-16/h2-3,5-6,8-10H,4,11,17H2,1H3.
What are the key properties of 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile?
2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102623899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).