(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide

C21H18N4O — CID 146030557

IUPAC(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide
SMILESNC(N)=NC(=O)/C(=C/c1ccccc1-c1ccccc1)c1cccnc1
InChIInChI=1S/C21H18N4O/c22-21(23)25-20(26)19(17-10-6-12-24-14-17)13-16-9-4-5-11-18(16)15-7-2-1-3-8-15/h1-14H,(H4,22,23,25,26)/b19-13+
InChIKeyWOITZGKWQRTVAJ-CPNJWEJPSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds4

About (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide

(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide (PubChem CID 146030557) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide
PubChem CID146030557
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide
SMILESNC(N)=NC(=O)/C(=C/c1ccccc1-c1ccccc1)c1cccnc1
InChIInChI=1S/C21H18N4O/c22-21(23)25-20(26)19(17-10-6-12-24-14-17)13-16-9-4-5-11-18(16)15-7-2-1-3-8-15/h1-14H,(H4,22,23,25,26)/b19-13+
InChIKeyWOITZGKWQRTVAJ-CPNJWEJPSA-N
XLogP3.09
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 146034448
3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid
CID 54298890
benzene;pyridine-3-carboxamide
CID 66766032
methyl 3-[2-[(E)-3-(diaminomethylideneamino)-2-methyl-3-oxoprop-1-enyl]phenyl]benzoate
CID 58214874
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-(diaminomethylidene)-3-[2-[3-(1-hydroxyethyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 76705026
oxalic acid;pyridine-3-carboxamide
CID 69110411
(2E)-N-(diaminomethylidene)-2-[[2-(3-hydroxyphenyl)phenyl]methylidene]butanamide
CID 58214815
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
CID 157476260
[amino(phenyl)methylidene]carbamoyloxymethyl pyridine-3-carboxylate
CID 54280723

Frequently Asked Questions

What is the IUPAC name of (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide (CID 146030557) is (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide is NC(N)=NC(=O)/C(=C/c1ccccc1-c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide?
The InChIKey is WOITZGKWQRTVAJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H18N4O/c22-21(23)25-20(26)19(17-10-6-12-24-14-17)13-16-9-4-5-11-18(16)15-7-2-1-3-8-15/h1-14H,(H4,22,23,25,26)/b19-13+.
What are the key properties of (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide?
(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 146030557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).