(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide

C14H13N3O — CID 115342586

IUPAC(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,15H2,(H,16,17,18)/b9-6+
InChIKeyNACPPNBBXFDJQD-RMKNXTFCSA-N
MW239.28 g/mol
LogP2.32
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide

(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 115342586) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID115342586
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,15H2,(H,16,17,18)/b9-6+
InChIKeyNACPPNBBXFDJQD-RMKNXTFCSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
(E)-3-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide
CID 115344795
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-2-ylprop-2-enamide
CID 110488977
4-oxo-4-(pyridin-2-ylamino)but-2-enoate
CID 4624953
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
(E)-3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 115342690
3-phenyl-N-(4-pyridin-4-yl-2-pyridinyl)prop-2-enamide
CID 171061782
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
CID 134096374
3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-pyridin-2-ylbenzamide
CID 60617200

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide (CID 115342586) is (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2ccccn2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is NACPPNBBXFDJQD-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H13N3O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,15H2,(H,16,17,18)/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 239.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 115342586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).