4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine

C14H15N5 — CID 139472490

IUPAC4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1ccncc1)c1cc(N/C=C\N)ccc1N
InChIInChI=1S/C14H15N5/c15-5-8-19-11-1-2-13(16)12(9-11)14(17)10-3-6-18-7-4-10/h1-9,17,19H,15-16H2/b8-5-,17-14+
InChIKeyBTSAYGJYQCCOGO-AQLLZYMMSA-N
MW253.31 g/mol
LogP1.92
Rot. Bonds4

About 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine

4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine (PubChem CID 139472490) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine
PubChem CID139472490
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1ccncc1)c1cc(N/C=C\N)ccc1N
InChIInChI=1S/C14H15N5/c15-5-8-19-11-1-2-13(16)12(9-11)14(17)10-3-6-18-7-4-10/h1-9,17,19H,15-16H2/b8-5-,17-14+
InChIKeyBTSAYGJYQCCOGO-AQLLZYMMSA-N
XLogP1.92
TPSA100.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline
CID 87918756
4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline
CID 87918757
4-[4-amino-3-(pyridine-4-carboximidoyl)phenoxy]pyridine-3-carbonitrile
CID 166551431
[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
CID 166551378
N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-4-[(4-chlorophenyl)methyl]morpholine-2-carboxamide
CID 122662181
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
CID 155134088
4-(pyridine-4-carboximidoyl)-1-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzene-1,3-diamine
CID 166551442
2-(benzenecarboximidoyl)-4-N-(3-phenylphenyl)sulfanylbenzene-1,4-diamine
CID 142806416
3-[4-amino-3-(benzenecarboximidoyl)anilino]sulfanylbenzonitrile
CID 142806450
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530

Frequently Asked Questions

What is the IUPAC name of 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine (CID 139472490) is 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine is [H]/N=C(\c1ccncc1)c1cc(N/C=C\N)ccc1N.
What is the InChIKey of 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine?
The InChIKey is BTSAYGJYQCCOGO-AQLLZYMMSA-N. The full InChI is InChI=1S/C14H15N5/c15-5-8-19-11-1-2-13(16)12(9-11)14(17)10-3-6-18-7-4-10/h1-9,17,19H,15-16H2/b8-5-,17-14+.
What are the key properties of 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine?
4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 139472490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).