N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C15H14F3N3O2 — CID 170551767

IUPACN-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOc1cnccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O2/c1-2-7-23-12-9-19-6-5-11(12)21-14(22)10-3-4-13(20-8-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,21,22)
InChIKeyAJYHQBUKAMCQJB-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.54
Rot. Bonds5

About N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 170551767) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID170551767
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCOc1cnccc1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O2/c1-2-7-23-12-9-19-6-5-11(12)21-14(22)10-3-4-13(20-8-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,21,22)
InChIKeyAJYHQBUKAMCQJB-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026408
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 170551767) is N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCOc1cnccc1NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AJYHQBUKAMCQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-7-23-12-9-19-6-5-11(12)21-14(22)10-3-4-13(20-8-10)15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,21,22).
What are the key properties of N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170551767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).