6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

C21H19ClFN3O2 — CID 109158583

IUPAC6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H19ClFN3O2/c1-28-19-8-7-16(22)12-18(19)26-20-9-6-15(13-25-20)21(27)24-11-10-14-4-2-3-5-17(14)23/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyRKFCGRWCYJWQFK-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.60
Rot. Bonds7

About 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109158583) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109158583
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H19ClFN3O2/c1-28-19-8-7-16(22)12-18(19)26-20-9-6-15(13-25-20)21(27)24-11-10-14-4-2-3-5-17(14)23/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyRKFCGRWCYJWQFK-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156064
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62236916
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160854

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109158583) is 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)NCCc2ccccc2F)cn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is RKFCGRWCYJWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-19-8-7-16(22)12-18(19)26-20-9-6-15(13-25-20)21(27)24-11-10-14-4-2-3-5-17(14)23/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109158583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).