(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide

C17H16N4O2 — CID 143305148

IUPAC(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1cccnc1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H16N4O2/c18-14-6-3-12(4-7-14)5-8-16(22)21-15(17(19)23)10-13-2-1-9-20-11-13/h1-11H,18H2,(H2,19,23)(H,21,22)/b8-5+,15-10-
InChIKeyQXPLSSBKUZFUML-VQGCXIRGSA-N
MW308.34 g/mol
LogP1.32
Rot. Bonds5

About (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide

(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide (PubChem CID 143305148) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide
PubChem CID143305148
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide
SMILESNC(=O)/C(=C/c1cccnc1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H16N4O2/c18-14-6-3-12(4-7-14)5-8-16(22)21-15(17(19)23)10-13-2-1-9-20-11-13/h1-11H,18H2,(H2,19,23)(H,21,22)/b8-5+,15-10-
InChIKeyQXPLSSBKUZFUML-VQGCXIRGSA-N
XLogP1.32
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
2-[4-[4-[3-(carbamoylamino)-3-oxoprop-1-enyl]phenoxy]phenyl]-N,N-dimethyl-3-pyridin-3-ylprop-2-enamide
CID 69130272
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 113290978

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide (CID 143305148) is (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide is NC(=O)/C(=C/c1cccnc1)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is QXPLSSBKUZFUML-VQGCXIRGSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-14-6-3-12(4-7-14)5-8-16(22)21-15(17(19)23)10-13-2-1-9-20-11-13/h1-11H,18H2,(H2,19,23)(H,21,22)/b8-5+,15-10-.
What are the key properties of (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide?
(Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 143305148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).