N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C13H15N3O2 — CID 66005188

IUPACN-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cn2ccccc2n1
InChIInChI=1S/C13H15N3O2/c17-10-5-9(6-10)7-14-13(18)11-8-16-4-2-1-3-12(16)15-11/h1-4,8-10,17H,5-7H2,(H,14,18)
InChIKeyBMSKOGXILVINGS-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.83
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 66005188) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID66005188
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cn2ccccc2n1
InChIInChI=1S/C13H15N3O2/c17-10-5-9(6-10)7-14-13(18)11-8-16-4-2-1-3-12(16)15-11/h1-4,8-10,17H,5-7H2,(H,14,18)
InChIKeyBMSKOGXILVINGS-UHFFFAOYSA-N
XLogP0.83
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 129003003
N-[2-[(1R,2R)-2-hydroxycyclohexyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 136587148
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
1-[(imidazo[1,2-a]pyridine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362941
N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051276
N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 65119667

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 66005188) is N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCC1CC(O)C1)c1cn2ccccc2n1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BMSKOGXILVINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-5-9(6-10)7-14-13(18)11-8-16-4-2-1-3-12(16)15-11/h1-4,8-10,17H,5-7H2,(H,14,18).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 66005188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).