N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

C22H21N5O3 — CID 53069899

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-n3nnc4cccnc43)c2C)c(OC)c1
InChIInChI=1S/C22H21N5O3/c1-14-17(22(28)24-13-15-9-10-16(29-2)12-20(15)30-3)6-4-8-19(14)27-21-18(25-26-27)7-5-11-23-21/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyQCVVYKSSQVLMFV-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.07
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53069899) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53069899
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-n3nnc4cccnc43)c2C)c(OC)c1
InChIInChI=1S/C22H21N5O3/c1-14-17(22(28)24-13-15-9-10-16(29-2)12-20(15)30-3)6-4-8-19(14)27-21-18(25-26-27)7-5-11-23-21/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyQCVVYKSSQVLMFV-UHFFFAOYSA-N
XLogP3.07
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 46324037
2-methyl-N-(3-pyrrolidin-1-ylbutyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069911
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
3-(5-methoxy-2-propan-2-yloxyphenyl)triazolo[4,5-b]pyridine
CID 10334065
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53069899) is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1ccc(CNC(=O)c2cccc(-n3nnc4cccnc43)c2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is QCVVYKSSQVLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-17(22(28)24-13-15-9-10-16(29-2)12-20(15)30-3)6-4-8-19(14)27-21-18(25-26-27)7-5-11-23-21/h4-12H,13H2,1-3H3,(H,24,28).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53069899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).