5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide

C20H22FN5O3 — CID 142522009

IUPAC5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C)ccc3nnn(C4CCCCO4)c23)cc1F
InChIInChI=1S/C20H22FN5O3/c1-12-6-7-16-18(26(25-24-16)17-5-3-4-8-29-17)14(12)11-22-19(27)13-9-15(21)20(28-2)23-10-13/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,22,27)
InChIKeyCVNDWPWRFGGYBS-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.91
Rot. Bonds5

About 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide

5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 142522009) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID142522009
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C)ccc3nnn(C4CCCCO4)c23)cc1F
InChIInChI=1S/C20H22FN5O3/c1-12-6-7-16-18(26(25-24-16)17-5-3-4-8-29-17)14(12)11-22-19(27)13-9-15(21)20(28-2)23-10-13/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,22,27)
InChIKeyCVNDWPWRFGGYBS-UHFFFAOYSA-N
XLogP2.91
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951
[5-methyl-1-(oxan-2-yl)benzotriazol-4-yl]methanol
CID 142521965
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 59246718
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide (CID 142522009) is 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide is COc1ncc(C(=O)NCc2c(C)ccc3nnn(C4CCCCO4)c23)cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is CVNDWPWRFGGYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-12-6-7-16-18(26(25-24-16)17-5-3-4-8-29-17)14(12)11-22-19(27)13-9-15(21)20(28-2)23-10-13/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,22,27).
What are the key properties of 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide?
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 142522009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).