N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide

C19H15ClFN3O — CID 109157003

IUPACN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C19H15ClFN3O/c20-15-8-5-13(6-9-15)11-23-19(25)14-7-10-18(22-12-14)24-17-4-2-1-3-16(17)21/h1-10,12H,11H2,(H,22,24)(H,23,25)
InChIKeyCNLPXYTYQFTTSV-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.55
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109157003) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
PubChem CID109157003
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nc1
InChIInChI=1S/C19H15ClFN3O/c20-15-8-5-13(6-9-15)11-23-19(25)14-7-10-18(22-12-14)24-17-4-2-1-3-16(17)21/h1-10,12H,11H2,(H,22,24)(H,23,25)
InChIKeyCNLPXYTYQFTTSV-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
6-(2,3-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158193
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156064
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide (CID 109157003) is N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is CNLPXYTYQFTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-15-8-5-13(6-9-15)11-23-19(25)14-7-10-18(22-12-14)24-17-4-2-1-3-16(17)21/h1-10,12H,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109157003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).