5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide

C12H17N5O — CID 106239996

IUPAC5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
SMILESCc1ccc2nc(N)n(CCCCC(N)=O)c2n1
InChIInChI=1S/C12H17N5O/c1-8-5-6-9-11(15-8)17(12(14)16-9)7-3-2-4-10(13)18/h5-6H,2-4,7H2,1H3,(H2,13,18)(H2,14,16)
InChIKeyDMYYTVHFNKDATF-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.98
Rot. Bonds5

About 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide

5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide (PubChem CID 106239996) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
PubChem CID106239996
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
SMILESCc1ccc2nc(N)n(CCCCC(N)=O)c2n1
InChIInChI=1S/C12H17N5O/c1-8-5-6-9-11(15-8)17(12(14)16-9)7-3-2-4-10(13)18/h5-6H,2-4,7H2,1H3,(H2,13,18)(H2,14,16)
InChIKeyDMYYTVHFNKDATF-UHFFFAOYSA-N
XLogP0.98
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 114248495
5-methyl-3-(3-phenylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 81138543
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
CID 112741051
3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138929
ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate
CID 115322446
ethyl 4-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]butanoate
CID 81135835
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-methyl-3-[(2-methylcyclopentyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 107419626
3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81136141
5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 81135716
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide?
The IUPAC name of 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide (CID 106239996) is 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide.
What is the SMILES notation for 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide?
The canonical SMILES for 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide is Cc1ccc2nc(N)n(CCCCC(N)=O)c2n1.
What is the InChIKey of 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide?
The InChIKey is DMYYTVHFNKDATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-5-6-9-11(15-8)17(12(14)16-9)7-3-2-4-10(13)18/h5-6H,2-4,7H2,1H3,(H2,13,18)(H2,14,16).
What are the key properties of 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide?
5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide has a molecular weight of 247.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide is sourced from PubChem (CID 106239996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).