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

C15H14FN5O2 — CID 142522029

IUPAC5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C)ccc3n[nH]nc23)cc1F
InChIInChI=1S/C15H14FN5O2/c1-8-3-4-12-13(20-21-19-12)10(8)7-17-14(22)9-5-11(16)15(23-2)18-6-9/h3-6H,7H2,1-2H3,(H,17,22)(H,19,20,21)
InChIKeyOPJFOGQWDDAKIB-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.74
Rot. Bonds4

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

5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 142522029) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID142522029
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C)ccc3n[nH]nc23)cc1F
InChIInChI=1S/C15H14FN5O2/c1-8-3-4-12-13(20-21-19-12)10(8)7-17-14(22)9-5-11(16)15(23-2)18-6-9/h3-6H,7H2,1-2H3,(H,17,22)(H,19,20,21)
InChIKeyOPJFOGQWDDAKIB-UHFFFAOYSA-N
XLogP1.74
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 146590763
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
CID 142522009
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
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453512
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide (CID 142522029) is 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide is COc1ncc(C(=O)NCc2c(C)ccc3n[nH]nc23)cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OPJFOGQWDDAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-8-3-4-12-13(20-21-19-12)10(8)7-17-14(22)9-5-11(16)15(23-2)18-6-9/h3-6H,7H2,1-2H3,(H,17,22)(H,19,20,21).
What are the key properties of 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide?
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 315.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 142522029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).