(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide

C18H27N5O3 — CID 91909929

IUPAC(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](n2c(=O)n(CCOC)c3cccnc32)C1
InChIInChI=1S/C18H27N5O3/c1-3-8-20-17(24)21-10-5-6-14(13-21)23-16-15(7-4-9-19-16)22(18(23)25)11-12-26-2/h4,7,9,14H,3,5-6,8,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyODWBEUTXAINLTI-AWEZNQCLSA-N
MW361.45 g/mol
LogP1.60
Rot. Bonds6

About (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide

(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 91909929) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
PubChem CID91909929
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](n2c(=O)n(CCOC)c3cccnc32)C1
InChIInChI=1S/C18H27N5O3/c1-3-8-20-17(24)21-10-5-6-14(13-21)23-16-15(7-4-9-19-16)22(18(23)25)11-12-26-2/h4,7,9,14H,3,5-6,8,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyODWBEUTXAINLTI-AWEZNQCLSA-N
XLogP1.60
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
CID 87051759
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53159343
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53159341
2-[3-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-3-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]acetic acid
CID 67335423
1-ethyl-3-[(3S)-1-(4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 54581236
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 71841297

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide (CID 91909929) is (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@H](n2c(=O)n(CCOC)c3cccnc32)C1.
What is the InChIKey of (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide?
The InChIKey is ODWBEUTXAINLTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-8-20-17(24)21-10-5-6-14(13-21)23-16-15(7-4-9-19-16)22(18(23)25)11-12-26-2/h4,7,9,14H,3,5-6,8,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide?
(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91909929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).