N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

C21H16ClN3O2 — CID 39678520

IUPACN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H16ClN3O2/c22-17-9-6-15(7-10-17)8-11-20(26)24-18-4-1-5-19(13-18)25-21(27)16-3-2-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-8+
InChIKeyDVORWHPKBQHVIN-DHZHZOJOSA-N
MW377.83 g/mol
LogP4.64
Rot. Bonds5

About N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39678520) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39678520
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H16ClN3O2/c22-17-9-6-15(7-10-17)8-11-20(26)24-18-4-1-5-19(13-18)25-21(27)16-3-2-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-8+
InChIKeyDVORWHPKBQHVIN-DHZHZOJOSA-N
XLogP4.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.64
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-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39188207
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580126
N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
methyl 3-[3-(4-chlorophenyl)prop-2-enoylamino]benzoate
CID 692491

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 39678520) is N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is DVORWHPKBQHVIN-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-17-9-6-15(7-10-17)8-11-20(26)24-18-4-1-5-19(13-18)25-21(27)16-3-2-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-8+.
What are the key properties of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39678520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).