(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide

C19H17N5O2 — CID 75364810

IUPAC(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C19H17N5O2/c25-17(10-9-15-8-4-5-12-20-15)23-18(14-6-2-1-3-7-14)19(26)22-16-11-13-21-24-16/h1-13,18H,(H,23,25)(H2,21,22,24,26)/b10-9+
InChIKeyRBVNYNHIKWFSQW-MDZDMXLPSA-N
MW347.38 g/mol
LogP2.31
Rot. Bonds6

About (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 75364810) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID75364810
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C19H17N5O2/c25-17(10-9-15-8-4-5-12-20-15)23-18(14-6-2-1-3-7-14)19(26)22-16-11-13-21-24-16/h1-13,18H,(H,23,25)(H2,21,22,24,26)/b10-9+
InChIKeyRBVNYNHIKWFSQW-MDZDMXLPSA-N
XLogP2.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-pyridin-2-ylprop-2-enamide
CID 103598072
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335
4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 154851498
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide (CID 75364810) is (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)NC(C(=O)Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is RBVNYNHIKWFSQW-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-17(10-9-15-8-4-5-12-20-15)23-18(14-6-2-1-3-7-14)19(26)22-16-11-13-21-24-16/h1-13,18H,(H,23,25)(H2,21,22,24,26)/b10-9+.
What are the key properties of (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 347.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 75364810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).