ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

C14H22N4O — CID 143218186

IUPACethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC.CN1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C12H16N4O.C2H6/c1-15-7-4-9(5-8-15)16-10-3-2-6-13-11(10)14-12(16)17;1-2/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14,17);1-2H3
InChIKeyYUYJDECCMBNPEA-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.02
Rot. Bonds1

About ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 143218186) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID143218186
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Nameethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC.CN1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C12H16N4O.C2H6/c1-15-7-4-9(5-8-15)16-10-3-2-6-13-11(10)14-12(16)17;1-2/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14,17);1-2H3
InChIKeyYUYJDECCMBNPEA-UHFFFAOYSA-N
XLogP2.02
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 118888622
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 143218186) is ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is CC.CN1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is YUYJDECCMBNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.C2H6/c1-15-7-4-9(5-8-15)16-10-3-2-6-13-11(10)14-12(16)17;1-2/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,14,17);1-2H3.
What are the key properties of ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 262.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143218186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).