3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)

C36H35N5 — CID 145186268

IUPAC3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)
SMILESC=CC.C=CC.N#Cc1nc(Nc2ccccc2-c2ccccc2)c(Nc2ccccc2-c2ccccc2)cc1N
InChIInChI=1S/C30H23N5.2C3H6/c31-20-29-25(32)19-28(33-26-17-9-7-15-23(26)21-11-3-1-4-12-21)30(35-29)34-27-18-10-8-16-24(27)22-13-5-2-6-14-22;2*1-3-2/h1-19,33H,32H2,(H,34,35);2*3H,1H2,2H3
InChIKeyIBIUYUUNMMXDMS-UHFFFAOYSA-N
MW537.71 g/mol
LogP9.74
Rot. Bonds6

About 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)

3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) (PubChem CID 145186268) has the molecular formula C36H35N5 and a molecular weight of 537.71 g/mol. Its IUPAC name is 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene).

Molecular Properties

Compound Name3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)
PubChem CID145186268
Molecular FormulaC36H35N5
Molecular Weight537.71 g/mol
Exact Mass537.29
IUPAC Name3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)
SMILESC=CC.C=CC.N#Cc1nc(Nc2ccccc2-c2ccccc2)c(Nc2ccccc2-c2ccccc2)cc1N
InChIInChI=1S/C30H23N5.2C3H6/c31-20-29-25(32)19-28(33-26-17-9-7-15-23(26)21-11-3-1-4-12-21)30(35-29)34-27-18-10-8-16-24(27)22-13-5-2-6-14-22;2*1-3-2/h1-19,33H,32H2,(H,34,35);2*3H,1H2,2H3
InChIKeyIBIUYUUNMMXDMS-UHFFFAOYSA-N
XLogP9.74
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) 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

3-Pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenyl)amino]-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-
CID 11605744
4-[[6-(2,4,6-Trimethylanilino)-2-pyridyl]amino]benzonitrile
CID 90134115
1-(3-Cyano-4,6-diphenyl-2-pyridinyl)-3-phenylthiourea
CID 118730799
3-[[6-Methyl-2-(2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 44525761
4-[[6-(4-Cyanoanilino)-2-pyridyl]amino]-3,5-dimethyl-benzonitrile
CID 125504785
4-[[6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-anilino]-2-pyridyl]amino]benzonitrile
CID 127031357
4-[(2,6-Diphenylpyrimidin-4-yl)amino]benzonitrile
CID 162662017
2-Anilino-4-(4-methylphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166628081
2-Anilino-4,6-diphenylpyrimidine-5-carbonitrile
CID 166629365
2-Anilino-4-(3-cyanophenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166632815
2-(3,5-Dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
CID 102125878
2-(3,5-Dimethylanilino)-6-phenylpyridine-3-carbonitrile
CID 164912160

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)?
The IUPAC name of 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) (CID 145186268) is 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene).
What is the SMILES notation for 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)?
The canonical SMILES for 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) is C=CC.C=CC.N#Cc1nc(Nc2ccccc2-c2ccccc2)c(Nc2ccccc2-c2ccccc2)cc1N.
What is the InChIKey of 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)?
The InChIKey is IBIUYUUNMMXDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5.2C3H6/c31-20-29-25(32)19-28(33-26-17-9-7-15-23(26)21-11-3-1-4-12-21)30(35-29)34-27-18-10-8-16-24(27)22-13-5-2-6-14-22;2*1-3-2/h1-19,33H,32H2,(H,34,35);2*3H,1H2,2H3.
What are the key properties of 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene)?
3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) has a molecular weight of 537.71 g/mol, XLogP of 9.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-bis(2-phenylanilino)pyridine-2-carbonitrile;bis(prop-1-ene) is sourced from PubChem (CID 145186268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).