N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C20H17ClFN3O2 — CID 109156639

IUPACN-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-27-18-8-5-15(21)10-17(18)25-20(26)14-4-9-19(24-12-14)23-11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyYVDBMMLCTQLCCD-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.75
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109156639) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109156639
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-27-18-8-5-15(21)10-17(18)25-20(26)14-4-9-19(24-12-14)23-11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyYVDBMMLCTQLCCD-UHFFFAOYSA-N
XLogP4.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156635
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
N-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155689
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109158658
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158661
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
methyl 2-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156658
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109156639) is N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is YVDBMMLCTQLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-27-18-8-5-15(21)10-17(18)25-20(26)14-4-9-19(24-12-14)23-11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109156639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).