4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile

C19H16N4O — CID 145368562

IUPAC4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(N)c2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C19H16N4O/c20-10-14-11-23-12-17(19(14)22)18(21)13-6-8-16(9-7-13)24-15-4-2-1-3-5-15/h1-9,11-12,18H,21H2,(H2,22,23)
InChIKeyXWZHIRSFKUSMDQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.38
Rot. Bonds4

About 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile

4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile (PubChem CID 145368562) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile
PubChem CID145368562
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C(N)c2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C19H16N4O/c20-10-14-11-23-12-17(19(14)22)18(21)13-6-8-16(9-7-13)24-15-4-2-1-3-5-15/h1-9,11-12,18H,21H2,(H2,22,23)
InChIKeyXWZHIRSFKUSMDQ-UHFFFAOYSA-N
XLogP3.38
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[amino(phenyl)methyl]benzonitrile;hydrochloride
CID 172834472
(3S)-3-amino-3-(4-phenoxyphenyl)propanenitrile
CID 171260053
5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
2-hydroxy-2-(4-phenoxyphenyl)acetonitrile
CID 11436051
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 155366990
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
(3-chloropyrazin-2-yl)-(4-phenoxyphenyl)methanamine;hydrochloride
CID 121458102
(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228385
2-methyl-5-phenoxybenzonitrile
CID 156815306
2,3-dihydroxy-3-(4-phenoxyphenyl)propanenitrile
CID 171871202
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile (CID 145368562) is 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile is N#Cc1cncc(C(N)c2ccc(Oc3ccccc3)cc2)c1N.
What is the InChIKey of 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile?
The InChIKey is XWZHIRSFKUSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-10-14-11-23-12-17(19(14)22)18(21)13-6-8-16(9-7-13)24-15-4-2-1-3-5-15/h1-9,11-12,18H,21H2,(H2,22,23).
What are the key properties of 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile?
4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[amino-(4-phenoxyphenyl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 145368562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).