(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide

C18H16N4O — CID 146206108

IUPAC(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2cnccc2-c2cn[nH]c2)c1
InChIInChI=1S/C18H16N4O/c1-13-3-2-4-16(9-13)22-18(23)6-5-14-10-19-8-7-17(14)15-11-20-21-12-15/h2-12H,1H3,(H,20,21)(H,22,23)/b6-5+
InChIKeyDCGXTEUYHSBQHR-AATRIKPKSA-N
MW304.35 g/mol
LogP3.43
Rot. Bonds4

About (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide

(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 146206108) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID146206108
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2cnccc2-c2cn[nH]c2)c1
InChIInChI=1S/C18H16N4O/c1-13-3-2-4-16(9-13)22-18(23)6-5-14-10-19-8-7-17(14)15-11-20-21-12-15/h2-12H,1H3,(H,20,21)(H,22,23)/b6-5+
InChIKeyDCGXTEUYHSBQHR-AATRIKPKSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2,3-dihydro-1H-isoindol-5-yl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 130329338
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(1-azido-2-methylpropan-2-yl) 5-[[(E)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enoyl]amino]-1,3-dihydroisoindole-2-carboxylate
CID 130329093
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 126568593
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
(E)-N-(3-hydroxy-4-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568665
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568611
(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43430724
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide (CID 146206108) is (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2cnccc2-c2cn[nH]c2)c1.
What is the InChIKey of (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is DCGXTEUYHSBQHR-AATRIKPKSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-3-2-4-16(9-13)22-18(23)6-5-14-10-19-8-7-17(14)15-11-20-21-12-15/h2-12H,1H3,(H,20,21)(H,22,23)/b6-5+.
What are the key properties of (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 146206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).