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

C24H24N4O3 — CID 46277348

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-15-7-8-17(12-21(15)28-16(2)27-20-6-5-11-25-23(20)28)24(29)26-14-18-9-10-19(30-3)13-22(18)31-4/h5-13H,14H2,1-4H3,(H,26,29)
InChIKeyYZWVZZNDXGEPJE-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.98
Rot. Bonds6

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

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 46277348) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID46277348
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-15-7-8-17(12-21(15)28-16(2)27-20-6-5-11-25-23(20)28)24(29)26-14-18-9-10-19(30-3)13-22(18)31-4/h5-13H,14H2,1-4H3,(H,26,29)
InChIKeyYZWVZZNDXGEPJE-UHFFFAOYSA-N
XLogP3.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 46277348) is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is COc1ccc(CNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is YZWVZZNDXGEPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-7-8-17(12-21(15)28-16(2)27-20-6-5-11-25-23(20)28)24(29)26-14-18-9-10-19(30-3)13-22(18)31-4/h5-13H,14H2,1-4H3,(H,26,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 46277348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).