N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide

C17H12ClF3N4O2 — CID 109178911

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccn2)no1
InChIInChI=1S/C17H12ClF3N4O2/c1-9-6-15(25-27-9)24-14-7-10(4-5-22-14)16(26)23-13-3-2-11(18)8-12(13)17(19,20)21/h2-8H,1H3,(H,23,26)(H,22,24,25)
InChIKeyXTZITNHIQIRROU-UHFFFAOYSA-N
MW396.76 g/mol
LogP5.05
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide (PubChem CID 109178911) has the molecular formula C17H12ClF3N4O2 and a molecular weight of 396.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
PubChem CID109178911
Molecular FormulaC17H12ClF3N4O2
Molecular Weight396.76 g/mol
Exact Mass396.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccn2)no1
InChIInChI=1S/C17H12ClF3N4O2/c1-9-6-15(25-27-9)24-14-7-10(4-5-22-14)16(26)23-13-3-2-11(18)8-12(13)17(19,20)21/h2-8H,1H3,(H,23,26)(H,22,24,25)
InChIKeyXTZITNHIQIRROU-UHFFFAOYSA-N
XLogP5.05
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178937
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 55470547
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014
2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177651
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969486

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide (CID 109178911) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccn2)no1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
The InChIKey is XTZITNHIQIRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2/c1-9-6-15(25-27-9)24-14-7-10(4-5-22-14)16(26)23-13-3-2-11(18)8-12(13)17(19,20)21/h2-8H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide has a molecular weight of 396.76 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109178911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).