N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide

C17H19ClFN3O2 — CID 155350561

IUPACN-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(Cl)c2)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C17H19ClFN3O2/c1-17(2,3)22-16(23)15-13(24-4)5-6-14(21-15)20-12-8-10(18)7-11(19)9-12/h5-9H,1-4H3,(H,20,21)(H,22,23)
InChIKeyIZNGPVYNLFZFRE-UHFFFAOYSA-N
MW351.81 g/mol
LogP4.15
Rot. Bonds4

About N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide

N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide (PubChem CID 155350561) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
PubChem CID155350561
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC NameN-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)cc(Cl)c2)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C17H19ClFN3O2/c1-17(2,3)22-16(23)15-13(24-4)5-6-14(21-15)20-12-8-10(18)7-11(19)9-12/h5-9H,1-4H3,(H,20,21)(H,22,23)
InChIKeyIZNGPVYNLFZFRE-UHFFFAOYSA-N
XLogP4.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-difluoroanilino)-N-(2,3-dimethylbutan-2-yl)-3-methoxypyridine-2-carboxamide
CID 155350434
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide
CID 155350485
6-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107368827
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
CID 155727924
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 155341435
6-(3,5-difluoroanilino)-3-methoxy-N-[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 155341439
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
CID 107363446
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide (CID 155350561) is N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide is COc1ccc(Nc2cc(F)cc(Cl)c2)nc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide?
The InChIKey is IZNGPVYNLFZFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-17(2,3)22-16(23)15-13(24-4)5-6-14(21-15)20-12-8-10(18)7-11(19)9-12/h5-9H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide?
N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155350561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).