ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde

C14H20N4O2 — CID 142441053

IUPACethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
SMILESCC.O=CN1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C12H14N4O2.C2H6/c17-8-15-6-3-9(4-7-15)16-10-2-1-5-13-11(10)14-12(16)18;1-2/h1-2,5,8-9H,3-4,6-7H2,(H,13,14,18);1-2H3
InChIKeyILVRPPVNEIOVEX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds2

About ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde

ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde (PubChem CID 142441053) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
PubChem CID142441053
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
SMILESCC.O=CN1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C12H14N4O2.C2H6/c17-8-15-6-3-9(4-7-15)16-10-2-1-5-13-11(10)14-12(16)18;1-2/h1-2,5,8-9H,3-4,6-7H2,(H,13,14,18);1-2H3
InChIKeyILVRPPVNEIOVEX-UHFFFAOYSA-N
XLogP1.54
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
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
4-(8-oxo-9H-purin-7-yl)piperidine-1-carbaldehyde
CID 142952669
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
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide;methanamine;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 143222296

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde (CID 142441053) is ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde is CC.O=CN1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is ILVRPPVNEIOVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.C2H6/c17-8-15-6-3-9(4-7-15)16-10-2-1-5-13-11(10)14-12(16)18;1-2/h1-2,5,8-9H,3-4,6-7H2,(H,13,14,18);1-2H3.
What are the key properties of ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde?
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 276.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 142441053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).