2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide

C17H15F2N5O2 — CID 154779558

IUPAC2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCn1cnc(-c2cccc(NC(=O)c3cccnc3OCC(F)F)c2)n1
InChIInChI=1S/C17H15F2N5O2/c1-24-10-21-15(23-24)11-4-2-5-12(8-11)22-16(25)13-6-3-7-20-17(13)26-9-14(18)19/h2-8,10,14H,9H2,1H3,(H,22,25)
InChIKeyVJXICTMOJMKLAV-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.77
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 154779558) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID154779558
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCn1cnc(-c2cccc(NC(=O)c3cccnc3OCC(F)F)c2)n1
InChIInChI=1S/C17H15F2N5O2/c1-24-10-21-15(23-24)11-4-2-5-12(8-11)22-16(25)13-6-3-7-20-17(13)26-9-14(18)19/h2-8,10,14H,9H2,1H3,(H,22,25)
InChIKeyVJXICTMOJMKLAV-UHFFFAOYSA-N
XLogP2.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 71907122
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 136522591
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide (CID 154779558) is 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide is Cn1cnc(-c2cccc(NC(=O)c3cccnc3OCC(F)F)c2)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is VJXICTMOJMKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-24-10-21-15(23-24)11-4-2-5-12(8-11)22-16(25)13-6-3-7-20-17(13)26-9-14(18)19/h2-8,10,14H,9H2,1H3,(H,22,25).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154779558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).