N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C17H13F3N4O — CID 176705912

IUPACN-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)15-8-4-7-13(22-15)16(25)23-14-10-24(9-12(14)21)11-5-2-1-3-6-11/h1-10H,21H2,(H,23,25)
InChIKeyJTTHADORNKNAAR-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.73
Rot. Bonds3

About N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 176705912) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID176705912
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)15-8-4-7-13(22-15)16(25)23-14-10-24(9-12(14)21)11-5-2-1-3-6-11/h1-10H,21H2,(H,23,25)
InChIKeyJTTHADORNKNAAR-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705983
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
3-[7-(4-carbamoylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822108
methyl 2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;2-(2-methylsulfonylethyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 164980495
N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
CID 151656862
6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
3-[7-(4-hydroxy-4-methylpiperidin-1-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 164822102
N-[6-(difluoromethyl)-2-[3-(iodomethyl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156433
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 176705912) is N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is Nc1cn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JTTHADORNKNAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)15-8-4-7-13(22-15)16(25)23-14-10-24(9-12(14)21)11-5-2-1-3-6-11/h1-10H,21H2,(H,23,25).
What are the key properties of N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 176705912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).