6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide

C19H20FN5O2 — CID 59246718

IUPAC6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnc(On2nnc3ccccc32)c(F)c1
InChIInChI=1S/C19H20FN5O2/c1-12-6-2-3-7-15(12)22-18(26)13-10-14(20)19(21-11-13)27-25-17-9-5-4-8-16(17)23-24-25/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,22,26)
InChIKeyVOSOYXDHIJMAPI-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.12
Rot. Bonds4

About 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide

6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 59246718) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID59246718
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnc(On2nnc3ccccc32)c(F)c1
InChIInChI=1S/C19H20FN5O2/c1-12-6-2-3-7-15(12)22-18(26)13-10-14(20)19(21-11-13)27-25-17-9-5-4-8-16(17)23-24-25/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,22,26)
InChIKeyVOSOYXDHIJMAPI-UHFFFAOYSA-N
XLogP3.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8627557
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide (CID 59246718) is 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide is CC1CCCCC1NC(=O)c1cnc(On2nnc3ccccc32)c(F)c1.
What is the InChIKey of 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is VOSOYXDHIJMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-6-2-3-7-15(12)22-18(26)13-10-14(20)19(21-11-13)27-25-17-9-5-4-8-16(17)23-24-25/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,22,26).
What are the key properties of 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 59246718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).