N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide

C16H17N5O2 — CID 136567146

IUPACN-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C16H17N5O2/c1-4-11-12(6-8-15(17-11)23-3)18-16(22)10-5-7-14-13(9-10)19-20-21(14)2/h5-9H,4H2,1-3H3,(H,18,22)
InChIKeyRQLWMZPHVKPFEB-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.19
Rot. Bonds4

About N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide

N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide (PubChem CID 136567146) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide
PubChem CID136567146
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C16H17N5O2/c1-4-11-12(6-8-15(17-11)23-3)18-16(22)10-5-7-14-13(9-10)19-20-21(14)2/h5-9H,4H2,1-3H3,(H,18,22)
InChIKeyRQLWMZPHVKPFEB-UHFFFAOYSA-N
XLogP2.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 136567147
N-(4-fluoro-2-propoxyphenyl)-1-methylbenzotriazole-5-carboxamide
CID 71919062
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(2,5-difluorophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051524
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
2-[(1-methylbenzotriazole-5-carbonyl)amino]butanoic acid
CID 119223248
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide (CID 136567146) is N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide is CCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide?
The InChIKey is RQLWMZPHVKPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-11-12(6-8-15(17-11)23-3)18-16(22)10-5-7-14-13(9-10)19-20-21(14)2/h5-9H,4H2,1-3H3,(H,18,22).
What are the key properties of N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide?
N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methoxy-3-pyridinyl)-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 136567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).