5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide

C15H13ClFN3O — CID 109223675

IUPAC5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFN3O/c16-13-6-11(3-4-14(13)17)19-12-5-9(7-18-8-12)15(21)20-10-1-2-10/h3-8,10,19H,1-2H2,(H,20,21)
InChIKeyPWYNUZKEKMVHLY-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.51
Rot. Bonds4

About 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide

5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide (PubChem CID 109223675) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
PubChem CID109223675
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cncc(Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFN3O/c16-13-6-11(3-4-14(13)17)19-12-5-9(7-18-8-12)15(21)20-10-1-2-10/h3-8,10,19H,1-2H2,(H,20,21)
InChIKeyPWYNUZKEKMVHLY-UHFFFAOYSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
N-cyclopropyl-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109223746
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide (CID 109223675) is 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cncc(Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is PWYNUZKEKMVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-13-6-11(3-4-14(13)17)19-12-5-9(7-18-8-12)15(21)20-10-1-2-10/h3-8,10,19H,1-2H2,(H,20,21).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 305.74 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 109223675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).