N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

C22H19N3O2 — CID 108925408

IUPACN-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(/C=C/C(=O)Nc2ccccc2NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c1-16-6-4-7-17(14-16)11-12-21(26)24-19-9-2-3-10-20(19)25-22(27)18-8-5-13-23-15-18/h2-15H,1H3,(H,24,26)(H,25,27)/b12-11+
InChIKeyVLUNVVSBBYCEIY-VAWYXSNFSA-N
MW357.41 g/mol
LogP4.29
Rot. Bonds5

About N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925408) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925408
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(/C=C/C(=O)Nc2ccccc2NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c1-16-6-4-7-17(14-16)11-12-21(26)24-19-9-2-3-10-20(19)25-22(27)18-8-5-13-23-15-18/h2-15H,1H3,(H,24,26)(H,25,27)/b12-11+
InChIKeyVLUNVVSBBYCEIY-VAWYXSNFSA-N
XLogP4.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.29
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

N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
[3-[[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108928136
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
3-[4-methyl-3-(pyridine-3-carbonylamino)phenyl]prop-2-enoic acid
CID 76907410
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
CID 26641259
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 108925408) is N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is Cc1cccc(/C=C/C(=O)Nc2ccccc2NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is VLUNVVSBBYCEIY-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-16-6-4-7-17(14-16)11-12-21(26)24-19-9-2-3-10-20(19)25-22(27)18-8-5-13-23-15-18/h2-15H,1H3,(H,24,26)(H,25,27)/b12-11+.
What are the key properties of N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).