N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide

C21H15ClFN3O2 — CID 76869971

IUPACN-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C21H15ClFN3O2/c22-15-7-4-14(5-8-15)6-11-20(27)25-19-13-16(23)9-10-17(19)26-21(28)18-3-1-2-12-24-18/h1-13H,(H,25,27)(H,26,28)
InChIKeyNUCOCYHCEANQIA-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.78
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide

N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide (PubChem CID 76869971) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
PubChem CID76869971
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC NameN-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C21H15ClFN3O2/c22-15-7-4-14(5-8-15)6-11-20(27)25-19-13-16(23)9-10-17(19)26-21(28)18-3-1-2-12-24-18/h1-13H,(H,25,27)(H,26,28)
InChIKeyNUCOCYHCEANQIA-UHFFFAOYSA-N
XLogP4.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.78
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-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
CID 75896601
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[2-[(5-chloro-2-methoxybenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834271
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyridine-2-carboxamide
CID 72628181
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
N-[4-fluoro-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]phenyl]pyridine-2-carboxamide
CID 55834013
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide (CID 76869971) is N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide is O=C(C=Cc1ccc(Cl)cc1)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is NUCOCYHCEANQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-15-7-4-14(5-8-15)6-11-20(27)25-19-13-16(23)9-10-17(19)26-21(28)18-3-1-2-12-24-18/h1-13H,(H,25,27)(H,26,28).
What are the key properties of N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide?
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 76869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).