N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide

C18H20N4O — CID 53020555

IUPACN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c1-13(2)18(23)20-11-16-21-15-9-6-10-19-17(15)22(16)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyBRARXFGVKKVWEA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.75
Rot. Bonds5

About N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide

N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide (PubChem CID 53020555) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
PubChem CID53020555
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C18H20N4O/c1-13(2)18(23)20-11-16-21-15-9-6-10-19-17(15)22(16)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyBRARXFGVKKVWEA-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 53022323
N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53022329
1-(4-fluorophenyl)ethyl N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
CID 175151607
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
CID 50788032
N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 53020605
3,4-diethoxy-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53022332
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide (CID 53020555) is N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1nc2cccnc2n1Cc1ccccc1.
What is the InChIKey of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide?
The InChIKey is BRARXFGVKKVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)18(23)20-11-16-21-15-9-6-10-19-17(15)22(16)12-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide?
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 53020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).