2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide

C13H10F3N3O2 — CID 99819940

IUPAC2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H10F3N3O2/c1-21-12-9(3-2-5-18-12)11(20)19-10-7-8(4-6-17-10)13(14,15)16/h2-7H,1H3,(H,17,19,20)
InChIKeyVGLIUKZSVSJZID-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.76
Rot. Bonds3

About 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide

2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 99819940) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID99819940
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H10F3N3O2/c1-21-12-9(3-2-5-18-12)11(20)19-10-7-8(4-6-17-10)13(14,15)16/h2-7H,1H3,(H,17,19,20)
InChIKeyVGLIUKZSVSJZID-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (CID 99819940) is 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is VGLIUKZSVSJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-12-9(3-2-5-18-12)11(20)19-10-7-8(4-6-17-10)13(14,15)16/h2-7H,1H3,(H,17,19,20).
What are the key properties of 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 99819940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).