pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C12H12F3N5O2 — CID 158186936

IUPACpyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESNC(=O)c1ccccn1.O=C(NCC(F)(F)F)n1ccnc1
InChIInChI=1S/C6H6F3N3O.C6H6N2O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12;7-6(9)5-3-1-2-4-8-5/h1-2,4H,3H2,(H,11,13);1-4H,(H2,7,9)
InChIKeyFZGIDHKRDYYFKT-UHFFFAOYSA-N
MW315.25 g/mol
LogP1.18
Rot. Bonds2

About pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 158186936) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.25 g/mol. Its IUPAC name is pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

Compound Namepyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
PubChem CID158186936
Molecular FormulaC12H12F3N5O2
Molecular Weight315.25 g/mol
Exact Mass315.09
IUPAC Namepyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESNC(=O)c1ccccn1.O=C(NCC(F)(F)F)n1ccnc1
InChIInChI=1S/C6H6F3N3O.C6H6N2O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12;7-6(9)5-3-1-2-4-8-5/h1-2,4H,3H2,(H,11,13);1-4H,(H2,7,9)
InChIKeyFZGIDHKRDYYFKT-UHFFFAOYSA-N
XLogP1.18
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 81269387
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CID 145071770
acetyl bromide;pyridine-2-carboxamide
CID 175817538
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
1-methylpyrrol-2-amine;pyridine-2-carboxamide
CID 174903535
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CID 47134204
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The IUPAC name of pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 158186936) is pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.
What is the SMILES notation for pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The canonical SMILES for pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is NC(=O)c1ccccn1.O=C(NCC(F)(F)F)n1ccnc1.
What is the InChIKey of pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The InChIKey is FZGIDHKRDYYFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O.C6H6N2O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12;7-6(9)5-3-1-2-4-8-5/h1-2,4H,3H2,(H,11,13);1-4H,(H2,7,9).
What are the key properties of pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 315.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 158186936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).