5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide

C15H15BrF2N4O2 — CID 86664892

IUPAC5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc(OCC(F)F)c(C(=O)Nc2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H15BrF2N4O2/c1-20-13-11(19)6-10(15(22-13)24-7-12(17)18)14(23)21-9-4-2-8(16)3-5-9/h2-6,12H,7,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJRZTEACQWQRCX-UHFFFAOYSA-N
MW401.21 g/mol
LogP3.36
Rot. Bonds6

About 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide

5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 86664892) has the molecular formula C15H15BrF2N4O2 and a molecular weight of 401.21 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide
PubChem CID86664892
Molecular FormulaC15H15BrF2N4O2
Molecular Weight401.21 g/mol
Exact Mass400.03
IUPAC Name5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc(OCC(F)F)c(C(=O)Nc2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H15BrF2N4O2/c1-20-13-11(19)6-10(15(22-13)24-7-12(17)18)14(23)21-9-4-2-8(16)3-5-9/h2-6,12H,7,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyIJRZTEACQWQRCX-UHFFFAOYSA-N
XLogP3.36
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 45137376
N-(4-bromophenyl)-5-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]-2-(2,2-difluoroethoxy)pyridine-3-carboxamide
CID 86658672
5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 88864262
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
N-[[3-[[3-[(4-bromophenyl)carbamoyl]-4-(2,2-difluoroethoxy)phenyl]carbamoyl]-4-chlorophenyl]methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 52918855
3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
N-(4-bromophenyl)-3-(2,2-difluoroethoxy)-2-methylprop-2-enamide
CID 123851938
5-bromo-N-[4-[(5-bromo-2-methylsulfanylbenzoyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 4604381
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387967
N-(4-bromophenyl)-2-[[5-[(tert-butylsulfinylamino)methyl]-2-chlorophenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 158546499
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide (CID 86664892) is 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide is CNc1nc(OCC(F)F)c(C(=O)Nc2ccc(Br)cc2)cc1N.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is IJRZTEACQWQRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N4O2/c1-20-13-11(19)6-10(15(22-13)24-7-12(17)18)14(23)21-9-4-2-8(16)3-5-9/h2-6,12H,7,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide?
5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 401.21 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)-2-(2,2-difluoroethoxy)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 86664892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).