methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium

C13H14N5O2+ — CID 163491141

IUPACmethylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
SMILESC#[N+]C(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C13H13N5O2/c1-14-12(19)17-7-4-9(5-8-17)18-10-3-2-6-15-11(10)16-13(18)20/h1-3,6,9H,4-5,7-8H2/p+1
InChIKeyZSFIZEYOEMCCLQ-UHFFFAOYSA-O
MW272.29 g/mol
LogP1.44
Rot. Bonds1

About methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium

methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium (PubChem CID 163491141) has the molecular formula C13H14N5O2+ and a molecular weight of 272.29 g/mol. Its IUPAC name is methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium.

Molecular Properties

Compound Namemethylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
PubChem CID163491141
Molecular FormulaC13H14N5O2+
Molecular Weight272.29 g/mol
Exact Mass272.11
IUPAC Namemethylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
SMILESC#[N+]C(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C13H13N5O2/c1-14-12(19)17-7-4-9(5-8-17)18-10-3-2-6-15-11(10)16-13(18)20/h1-3,6,9H,4-5,7-8H2/p+1
InChIKeyZSFIZEYOEMCCLQ-UHFFFAOYSA-O
XLogP1.44
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 118888622
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
1-[1-[2-[4-amino-5-(2,3-dichlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 68877072

Frequently Asked Questions

What is the IUPAC name of methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium?
The IUPAC name of methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium (CID 163491141) is methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium.
What is the SMILES notation for methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium?
The canonical SMILES for methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium is C#[N+]C(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium?
The InChIKey is ZSFIZEYOEMCCLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N5O2/c1-14-12(19)17-7-4-9(5-8-17)18-10-3-2-6-15-11(10)16-13(18)20/h1-3,6,9H,4-5,7-8H2/p+1.
What are the key properties of methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium?
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium has a molecular weight of 272.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium is sourced from PubChem (CID 163491141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).