(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide

C18H14ClN3O — CID 56583216

IUPAC(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H14ClN3O/c19-14-6-8-16(17(13-14)22-11-3-4-12-22)21-18(23)9-7-15-5-1-2-10-20-15/h1-13H,(H,21,23)/b9-7+
InChIKeyOGARMHWYRASRDQ-VQHVLOKHSA-N
MW323.78 g/mol
LogP4.18
Rot. Bonds4

About (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 56583216) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID56583216
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc(Cl)cc1-n1cccc1
InChIInChI=1S/C18H14ClN3O/c19-14-6-8-16(17(13-14)22-11-3-4-12-22)21-18(23)9-7-15-5-1-2-10-20-15/h1-13H,(H,21,23)/b9-7+
InChIKeyOGARMHWYRASRDQ-VQHVLOKHSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-propyl-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 155945313
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
3-(4-chloro-2-pyrrol-1-ylphenyl)-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71984859
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 47299986
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-methoxybenzamide
CID 56530750
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-methoxyethoxy)benzamide
CID 56530719
(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
CID 86992530
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide (CID 56583216) is (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1ccc(Cl)cc1-n1cccc1.
What is the InChIKey of (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is OGARMHWYRASRDQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-14-6-8-16(17(13-14)22-11-3-4-12-22)21-18(23)9-7-15-5-1-2-10-20-15/h1-13H,(H,21,23)/b9-7+.
What are the key properties of (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 323.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 56583216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).