5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine

C21H22N4 — CID 123380813

IUPAC5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(CCC)c2)ccc1N
InChIInChI=1S/C21H22N4/c1-2-4-14-5-3-6-16(9-14)21-19(11-18(23)13-25-21)15-7-8-20(24)17(10-15)12-22/h3,5-13,22H,2,4,23-24H2,1H3/b22-12+
InChIKeyAVKRCWNGRKNCRR-WSDLNYQXSA-N
MW330.44 g/mol
LogP4.53
Rot. Bonds5

About 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine

5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine (PubChem CID 123380813) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
PubChem CID123380813
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
SMILES[H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(CCC)c2)ccc1N
InChIInChI=1S/C21H22N4/c1-2-4-14-5-3-6-16(9-14)21-19(11-18(23)13-25-21)15-7-8-20(24)17(10-15)12-22/h3,5-13,22H,2,4,23-24H2,1H3/b22-12+
InChIKeyAVKRCWNGRKNCRR-WSDLNYQXSA-N
XLogP4.53
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
4-[2-(3,4-difluorophenyl)-5-ethoxy-3-pyridinyl]-2-methanimidoylaniline
CID 123806030
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
CID 123773144
2-methanimidoyl-5-propylaniline
CID 143067906
4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
CID 130373765
5-methyl-3-(3-propylphenyl)pyridin-2-amine
CID 116545619
5-methyl-6-(4-propylphenyl)pyridin-3-amine
CID 114049639
ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721
2-methoxy-5-(3-propylphenyl)aniline
CID 116545191
4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline
CID 145141528
5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
CID 123941283
[3-(5-amino-3-methyl-2-pyridinyl)phenyl]methanol
CID 110282145

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine?
The IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine (CID 123380813) is 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine?
The canonical SMILES for 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine is [H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(CCC)c2)ccc1N.
What is the InChIKey of 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine?
The InChIKey is AVKRCWNGRKNCRR-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-4-14-5-3-6-16(9-14)21-19(11-18(23)13-25-21)15-7-8-20(24)17(10-15)12-22/h3,5-13,22H,2,4,23-24H2,1H3/b22-12+.
What are the key properties of 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine?
5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine is sourced from PubChem (CID 123380813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).