(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

C23H19N3O2 — CID 92904671

IUPAC(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1cccc(NC(=O)/C=C\c2ccccc2)n1
InChIInChI=1S/C23H19N3O2/c27-22(16-14-18-8-3-1-4-9-18)25-20-12-7-13-21(24-20)26-23(28)17-15-19-10-5-2-6-11-19/h1-17H,(H2,24,25,26,27,28)/b16-14-,17-15-
InChIKeyYJUYHBWOTIFPFI-RYOQUFEFSA-N
MW369.42 g/mol
LogP4.39
Rot. Bonds6

About (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide

(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (PubChem CID 92904671) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
PubChem CID92904671
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1cccc(NC(=O)/C=C\c2ccccc2)n1
InChIInChI=1S/C23H19N3O2/c27-22(16-14-18-8-3-1-4-9-18)25-20-12-7-13-21(24-20)26-23(28)17-15-19-10-5-2-6-11-19/h1-17H,(H2,24,25,26,27,28)/b16-14-,17-15-
InChIKeyYJUYHBWOTIFPFI-RYOQUFEFSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[[6-[[(E)-3-carboxyprop-2-enoyl]amino]-2-pyridinyl]amino]-4-oxobut-2-enoic acid
CID 92856187
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 43520515
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide (CID 92904671) is (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is O=C(/C=C\c1ccccc1)Nc1cccc(NC(=O)/C=C\c2ccccc2)n1.
What is the InChIKey of (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
The InChIKey is YJUYHBWOTIFPFI-RYOQUFEFSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(16-14-18-8-3-1-4-9-18)25-20-12-7-13-21(24-20)26-23(28)17-15-19-10-5-2-6-11-19/h1-17H,(H2,24,25,26,27,28)/b16-14-,17-15-.
What are the key properties of (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide?
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 92904671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).