N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide

C22H19N3O2 — CID 108926500

IUPACN-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c26-21(12-11-17-6-2-1-3-7-17)24-15-18-8-4-10-20(14-18)25-22(27)19-9-5-13-23-16-19/h1-14,16H,15H2,(H,24,26)(H,25,27)/b12-11+
InChIKeyRLNDCWRJMHUBNV-VAWYXSNFSA-N
MW357.41 g/mol
LogP3.66
Rot. Bonds6

About N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926500) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926500
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H19N3O2/c26-21(12-11-17-6-2-1-3-7-17)24-15-18-8-4-10-20(14-18)25-22(27)19-9-5-13-23-16-19/h1-14,16H,15H2,(H,24,26)(H,25,27)/b12-11+
InChIKeyRLNDCWRJMHUBNV-VAWYXSNFSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.66
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-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
3-fluoro-N-[3-[[3-(3-fluorophenyl)prop-2-enoylamino]methyl]phenyl]benzamide
CID 55894437
N-[3-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903196
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924167
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926500) is N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide is O=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RLNDCWRJMHUBNV-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(12-11-17-6-2-1-3-7-17)24-15-18-8-4-10-20(14-18)25-22(27)19-9-5-13-23-16-19/h1-14,16H,15H2,(H,24,26)(H,25,27)/b12-11+.
What are the key properties of N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).