N-[(Z)-2-phenylethylideneamino]pyridin-4-amine

C13H13N3 — CID 58975074

IUPACN-[(Z)-2-phenylethylideneamino]pyridin-4-amine
SMILESC(\Cc1ccccc1)=N\Nc1ccncc1
InChIInChI=1S/C13H13N3/c1-2-4-12(5-3-1)6-11-15-16-13-7-9-14-10-8-13/h1-5,7-11H,6H2,(H,14,16)/b15-11-
InChIKeyNIMDVCJVMBJEOY-PTNGSMBKSA-N
MW211.27 g/mol
LogP2.72
Rot. Bonds4

About N-[(Z)-2-phenylethylideneamino]pyridin-4-amine

N-[(Z)-2-phenylethylideneamino]pyridin-4-amine (PubChem CID 58975074) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[(Z)-2-phenylethylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(Z)-2-phenylethylideneamino]pyridin-4-amine
PubChem CID58975074
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-[(Z)-2-phenylethylideneamino]pyridin-4-amine
SMILESC(\Cc1ccccc1)=N\Nc1ccncc1
InChIInChI=1S/C13H13N3/c1-2-4-12(5-3-1)6-11-15-16-13-7-9-14-10-8-13/h1-5,7-11H,6H2,(H,14,16)/b15-11-
InChIKeyNIMDVCJVMBJEOY-PTNGSMBKSA-N
XLogP2.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 70106120
N-[(E)-2-aminoethylideneamino]aniline
CID 58684033
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205
N-[(E)-2-phenylethylideneamino]propan-2-amine
CID 118526660
N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 19595270
2-pyridin-4-ylethylidenehydrazine
CID 70447853
(3E)-3-(phenylhydrazinylidene)propanenitrile
CID 12847960
2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
CID 139676092
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
1-(4-methylphenyl)-3-(2-phenylethylideneamino)thiourea
CID 4922452
1-(2-phenylethyl)-3-pyridin-4-ylthiourea
CID 19655618
N-(ethylideneamino)-2-pyridin-4-ylethanimine
CID 151069423

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-phenylethylideneamino]pyridin-4-amine?
The IUPAC name of N-[(Z)-2-phenylethylideneamino]pyridin-4-amine (CID 58975074) is N-[(Z)-2-phenylethylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(Z)-2-phenylethylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(Z)-2-phenylethylideneamino]pyridin-4-amine is C(\Cc1ccccc1)=N\Nc1ccncc1.
What is the InChIKey of N-[(Z)-2-phenylethylideneamino]pyridin-4-amine?
The InChIKey is NIMDVCJVMBJEOY-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-4-12(5-3-1)6-11-15-16-13-7-9-14-10-8-13/h1-5,7-11H,6H2,(H,14,16)/b15-11-.
What are the key properties of N-[(Z)-2-phenylethylideneamino]pyridin-4-amine?
N-[(Z)-2-phenylethylideneamino]pyridin-4-amine has a molecular weight of 211.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-phenylethylideneamino]pyridin-4-amine is sourced from PubChem (CID 58975074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).