N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide

C20H17N5O2 — CID 648452

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-10-18-19(11-17(13)22-20(26)14-4-3-9-21-12-14)24-25(23-18)15-5-7-16(27-2)8-6-15/h3-12H,1-2H3,(H,22,26)
InChIKeyMDPOIDZODHXWHQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide (PubChem CID 648452) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide
PubChem CID648452
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-10-18-19(11-17(13)22-20(26)14-4-3-9-21-12-14)24-25(23-18)15-5-7-16(27-2)8-6-15/h3-12H,1-2H3,(H,22,26)
InChIKeyMDPOIDZODHXWHQ-UHFFFAOYSA-N
XLogP3.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
N-(6-Methyl-2-p-tolyl-2H-benzotriazol-5-yl)-nicotinamide
CID 737755
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-2-pyrazinecarboxamide
CID 24819487
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981609
N-(4-methoxyphenyl)-1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 1289163
N-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 46959478
N-[7-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylindazol-6-yl]pyridine-2-carboxamide
CID 150734148
US10112940, Example 82
CID 137002316
4-(4-Methoxy-3-methylphenylamino)-8-methyl-6-(1-methyl-1H-indazol-6-yl)quinoline-3-carboxamide, formic acid salt (24f)
CID 91970485
2-fluoro-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 2269265
2-indazol-2-yl-N-(4-methoxyphenyl)benzamide
CID 137651222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide (CID 648452) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide is COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide?
The InChIKey is MDPOIDZODHXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-10-18-19(11-17(13)22-20(26)14-4-3-9-21-12-14)24-25(23-18)15-5-7-16(27-2)8-6-15/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 648452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).