6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

C21H17ClFN3O3 — CID 164900727

IUPAC6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C21H17ClFN3O3/c1-29-17-8-6-14(23)10-16(17)21(28)25-11-12-2-4-13(5-3-12)19-15(20(24)27)7-9-18(22)26-19/h2-10H,11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyTXRUXUFGVKJHKW-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.58
Rot. Bonds6

About 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 164900727) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID164900727
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC Name6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C21H17ClFN3O3/c1-29-17-8-6-14(23)10-16(17)21(28)25-11-12-2-4-13(5-3-12)19-15(20(24)27)7-9-18(22)26-19/h2-10H,11H2,1H3,(H2,24,27)(H,25,28)
InChIKeyTXRUXUFGVKJHKW-UHFFFAOYSA-N
XLogP3.58
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[(1S,2S)-2-fluorocyclopropyl]-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288177
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide;ethane;propane;propan-2-one
CID 166129848
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
5-amino-1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248194
N-[[4-[8-amino-3-[1-(trifluoromethyl)cyclopropyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 168817889
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269815
5-amino-1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248424
N-[[4-[4-amino-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175750648
2-cyanopropanamide;5-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 176988423

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 164900727) is 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(Cl)ccc2C(N)=O)cc1.
What is the InChIKey of 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is TXRUXUFGVKJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c1-29-17-8-6-14(23)10-16(17)21(28)25-11-12-2-4-13(5-3-12)19-15(20(24)27)7-9-18(22)26-19/h2-10H,11H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164900727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).