N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide

C24H21N5O2 — CID 165060196

IUPACN-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide
SMILESCOc1ccccc1C1=NCc2ccc(NC(=O)c3c(C)cc4cnnn4c3C)cc21
InChIInChI=1S/C24H21N5O2/c1-14-10-18-13-26-28-29(18)15(2)22(14)24(30)27-17-9-8-16-12-25-23(20(16)11-17)19-6-4-5-7-21(19)31-3/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyRBOFCDPZKBHXFW-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.96
Rot. Bonds4

About N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide

N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 165060196) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide
PubChem CID165060196
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide
SMILESCOc1ccccc1C1=NCc2ccc(NC(=O)c3c(C)cc4cnnn4c3C)cc21
InChIInChI=1S/C24H21N5O2/c1-14-10-18-13-26-28-29(18)15(2)22(14)24(30)27-17-9-8-16-12-25-23(20(16)11-17)19-6-4-5-7-21(19)31-3/h4-11,13H,12H2,1-3H3,(H,27,30)
InChIKeyRBOFCDPZKBHXFW-UHFFFAOYSA-N
XLogP3.96
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethoxybenzamide
CID 68567912
N-(2,3-dihydro-1H-inden-5-yl)-6-(2-methoxyphenyl)pyridine-3-carboxamide
CID 58639666
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-(3-chloro-4-methylphenyl)-8-(2-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315260
4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
CID 165013877
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
N-(9H-fluoren-3-yl)-2-(2-methoxyphenyl)acetamide
CID 8699315
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide (CID 165060196) is N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide is COc1ccccc1C1=NCc2ccc(NC(=O)c3c(C)cc4cnnn4c3C)cc21.
What is the InChIKey of N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is RBOFCDPZKBHXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-14-10-18-13-26-28-29(18)15(2)22(14)24(30)27-17-9-8-16-12-25-23(20(16)11-17)19-6-4-5-7-21(19)31-3/h4-11,13H,12H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide?
N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 165060196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).