N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride

C21H26ClN5O — CID 118692456

IUPACN-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(-c3cccnc3)nc2n1C1CCC1.Cl
InChIInChI=1S/C21H25N5O.ClH/c1-21(2,3)12-18(27)25-20-24-17-10-9-16(14-6-5-11-22-13-14)23-19(17)26(20)15-7-4-8-15;/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3,(H,24,25,27);1H
InChIKeyMYKZCUBQUUJGLS-UHFFFAOYSA-N
MW399.93 g/mol
LogP5.01
Rot. Bonds4

About N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride

N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 118692456) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID118692456
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC NameN-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(-c3cccnc3)nc2n1C1CCC1.Cl
InChIInChI=1S/C21H25N5O.ClH/c1-21(2,3)12-18(27)25-20-24-17-10-9-16(14-6-5-11-22-13-14)23-19(17)26(20)15-7-4-8-15;/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3,(H,24,25,27);1H
InChIKeyMYKZCUBQUUJGLS-UHFFFAOYSA-N
XLogP5.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.93
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
CID 160628655
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
N-(3-cyclobutyl-5-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
CID 130361741
N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane
CID 162130395
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propanamide;N-[5-chloro-6-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-ethynylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-ethylpentanamide;N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 160710304
N-(6-cyano-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
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N-[5-cyano-3-[3-[4-[(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)amino]-2-methyl-4-oxobutyl]cyclobutyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 137392845
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 86290780
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride (CID 118692456) is N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)CC(=O)Nc1nc2ccc(-c3cccnc3)nc2n1C1CCC1.Cl.
What is the InChIKey of N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is MYKZCUBQUUJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.ClH/c1-21(2,3)12-18(27)25-20-24-17-10-9-16(14-6-5-11-22-13-14)23-19(17)26(20)15-7-4-8-15;/h5-6,9-11,13,15H,4,7-8,12H2,1-3H3,(H,24,25,27);1H.
What are the key properties of N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride?
N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 399.93 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 118692456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).