3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

C17H21N5O2 — CID 118697321

IUPAC3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1
InChIInChI=1S/C17H21N5O2/c1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5/h6-8H,9H2,1-5H3,(H,19,20,23)
InChIKeyFLHWRZPCAGRUGX-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.40
Rot. Bonds3

About 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 118697321) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID118697321
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1
InChIInChI=1S/C17H21N5O2/c1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5/h6-8H,9H2,1-5H3,(H,19,20,23)
InChIKeyFLHWRZPCAGRUGX-UHFFFAOYSA-N
XLogP3.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938210
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
3,3-dimethyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130359669
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide
CID 130359765
(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
CID 118941494
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-[5-chloro-3-(3,4-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-chloro-3-(3,5-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 160549347

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 118697321) is 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.
What is the InChIKey of 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is FLHWRZPCAGRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5/h6-8H,9H2,1-5H3,(H,19,20,23).
What are the key properties of 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 327.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 118697321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).