ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

C15H21N5O3 — CID 90125332

IUPACethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(NC)nc32)CC1
InChIInChI=1S/C15H21N5O3/c1-3-23-15(22)19-8-6-10(7-9-19)20-13-11(17-14(20)21)4-5-12(16-2)18-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyBPIJHHUQWWTNKQ-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.56
Rot. Bonds3

About ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 90125332) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID90125332
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nameethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(NC)nc32)CC1
InChIInChI=1S/C15H21N5O3/c1-3-23-15(22)19-8-6-10(7-9-19)20-13-11(17-14(20)21)4-5-12(16-2)18-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyBPIJHHUQWWTNKQ-UHFFFAOYSA-N
XLogP1.56
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (CID 90125332) is ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(=O)[nH]c3ccc(NC)nc32)CC1.
What is the InChIKey of ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is BPIJHHUQWWTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-3-23-15(22)19-8-6-10(7-9-19)20-13-11(17-14(20)21)4-5-12(16-2)18-13/h4-5,10H,3,6-9H2,1-2H3,(H,16,18)(H,17,21).
What are the key properties of ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(methylamino)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 90125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).