N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride

C17H28ClN5O — CID 160628655

IUPACN-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
SMILESC.CC(C)(C)CC(=O)Nc1nc2ccc(N)nc2n1C1CCC1.Cl
InChIInChI=1S/C16H23N5O.CH4.ClH/c1-16(2,3)9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10;;/h7-8,10H,4-6,9H2,1-3H3,(H2,17,19)(H,18,20,22);1H4;1H
InChIKeyJFAXIAZQXFSFAH-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.17
Rot. Bonds3

About N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride

N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride (PubChem CID 160628655) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
PubChem CID160628655
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC NameN-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
SMILESC.CC(C)(C)CC(=O)Nc1nc2ccc(N)nc2n1C1CCC1.Cl
InChIInChI=1S/C16H23N5O.CH4.ClH/c1-16(2,3)9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10;;/h7-8,10H,4-6,9H2,1-3H3,(H2,17,19)(H,18,20,22);1H4;1H
InChIKeyJFAXIAZQXFSFAH-UHFFFAOYSA-N
XLogP4.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride?
The IUPAC name of N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride (CID 160628655) is N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride.
What is the SMILES notation for N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride?
The canonical SMILES for N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride is C.CC(C)(C)CC(=O)Nc1nc2ccc(N)nc2n1C1CCC1.Cl.
What is the InChIKey of N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride?
The InChIKey is JFAXIAZQXFSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.CH4.ClH/c1-16(2,3)9-13(22)20-15-18-11-7-8-12(17)19-14(11)21(15)10-5-4-6-10;;/h7-8,10H,4-6,9H2,1-3H3,(H2,17,19)(H,18,20,22);1H4;1H.
What are the key properties of N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride?
N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride is sourced from PubChem (CID 160628655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).