2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H21F3N4O2 — CID 146525911

IUPAC2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-9-14(11-23-12-15)25-18(27)16-8-13(19(20,21)22)10-24-17(16)26-6-4-2-3-5-7-26/h8-12H,2-7H2,1H3,(H,25,27)
InChIKeyCDJRGPGOBOCXIH-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.14
Rot. Bonds4

About 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525911) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525911
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cncc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)c1
InChIInChI=1S/C19H21F3N4O2/c1-28-15-9-14(11-23-12-15)25-18(27)16-8-13(19(20,21)22)10-24-17(16)26-6-4-2-3-5-7-26/h8-12H,2-7H2,1H3,(H,25,27)
InChIKeyCDJRGPGOBOCXIH-UHFFFAOYSA-N
XLogP4.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
methyl 1-[3-[(3-sulfamoylphenyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]azepane-4-carboxylate
CID 150043236
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
CID 173163988
N-(1-cyclopropylsulfonylpyrazol-4-yl)-2-(4,4-difluoroazepan-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525725
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
CID 175874136
2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165489330

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525911) is 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cncc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CDJRGPGOBOCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-28-15-9-14(11-23-12-15)25-18(27)16-8-13(19(20,21)22)10-24-17(16)26-6-4-2-3-5-7-26/h8-12H,2-7H2,1H3,(H,25,27).
What are the key properties of 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).