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

C21H16ClN3O2 — CID 108925411

IUPACN-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H16ClN3O2/c22-17-7-3-5-15(13-17)10-11-20(26)24-18-8-1-2-9-19(18)25-21(27)16-6-4-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-10+
InChIKeyYUVSFQSXMJVCAQ-ZHACJKMWSA-N
MW377.83 g/mol
LogP4.64
Rot. Bonds5

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

N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925411) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925411
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H16ClN3O2/c22-17-7-3-5-15(13-17)10-11-20(26)24-18-8-1-2-9-19(18)25-21(27)16-6-4-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-10+
InChIKeyYUVSFQSXMJVCAQ-ZHACJKMWSA-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-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925408
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
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-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 108925411) is N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is YUVSFQSXMJVCAQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-17-7-3-5-15(13-17)10-11-20(26)24-18-8-1-2-9-19(18)25-21(27)16-6-4-12-23-14-16/h1-14H,(H,24,26)(H,25,27)/b11-10+.
What are the key properties of N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-[[(E)-3-(3-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-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).