4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide

C17H11F3N4O2 — CID 58774782

IUPAC4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-14-7-2-1-4-10(14)11-5-3-6-12(23-11)13-8-9-22-16(24-13)15(21)25/h1-9H,(H2,21,25)
InChIKeyZAPNPEUBJDSOSL-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.20
Rot. Bonds4

About 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide

4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide (PubChem CID 58774782) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
PubChem CID58774782
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)26-14-7-2-1-4-10(14)11-5-3-6-12(23-11)13-8-9-22-16(24-13)15(21)25/h1-9H,(H2,21,25)
InChIKeyZAPNPEUBJDSOSL-UHFFFAOYSA-N
XLogP3.20
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide (CID 58774782) is 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide is NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1.
What is the InChIKey of 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide?
The InChIKey is ZAPNPEUBJDSOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)26-14-7-2-1-4-10(14)11-5-3-6-12(23-11)13-8-9-22-16(24-13)15(21)25/h1-9H,(H2,21,25).
What are the key properties of 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide?
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 58774782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).