4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C23H30N4O2 — CID 18734650

IUPAC4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C23H30N4O2/c1-5-14-27-21(25-20-7-6-13-24-22(20)27)16-26(15-12-17(2)3)23(28)18-8-10-19(29-4)11-9-18/h6-11,13,17H,5,12,14-16H2,1-4H3
InChIKeyZQSXFJWTJDRZGP-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.54
Rot. Bonds9

About 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 18734650) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID18734650
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C23H30N4O2/c1-5-14-27-21(25-20-7-6-13-24-22(20)27)16-26(15-12-17(2)3)23(28)18-8-10-19(29-4)11-9-18/h6-11,13,17H,5,12,14-16H2,1-4H3
InChIKeyZQSXFJWTJDRZGP-UHFFFAOYSA-N
XLogP4.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733183
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
3-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733085
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734609
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
2-chloro-3,4-dimethoxy-N-(3-methylbutyl)-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18684971
5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 18734202
3-[2-[(3-methylphenyl)methylamino]ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734610
3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
CID 157230866
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 18734650) is 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)cc2)nc2cccnc21.
What is the InChIKey of 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is ZQSXFJWTJDRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-14-27-21(25-20-7-6-13-24-22(20)27)16-26(15-12-17(2)3)23(28)18-8-10-19(29-4)11-9-18/h6-11,13,17H,5,12,14-16H2,1-4H3.
What are the key properties of 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 18734650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).