ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate

C18H25N5O3 — CID 46286590

IUPACethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCC(n2c(C)nc3cccnc32)CC1
InChIInChI=1S/C18H25N5O3/c1-3-26-16(24)6-10-20-18(25)22-11-7-14(8-12-22)23-13(2)21-15-5-4-9-19-17(15)23/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,20,25)
InChIKeyUJWFVWGHRCJNGJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.04
Rot. Bonds5

About ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate

ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate (PubChem CID 46286590) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
PubChem CID46286590
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)N1CCC(n2c(C)nc3cccnc32)CC1
InChIInChI=1S/C18H25N5O3/c1-3-26-16(24)6-10-20-18(25)22-11-7-14(8-12-22)23-13(2)21-15-5-4-9-19-17(15)23/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,20,25)
InChIKeyUJWFVWGHRCJNGJ-UHFFFAOYSA-N
XLogP2.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate 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

ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108456
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265
3-methoxy-1-[(3S)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108266
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816
N-(2,4-difluorophenyl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286581

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate (CID 46286590) is ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)N1CCC(n2c(C)nc3cccnc32)CC1.
What is the InChIKey of ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The InChIKey is UJWFVWGHRCJNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-26-16(24)6-10-20-18(25)22-11-7-14(8-12-22)23-13(2)21-15-5-4-9-19-17(15)23/h4-5,9,14H,3,6-8,10-12H2,1-2H3,(H,20,25).
What are the key properties of ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate?
ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate has a molecular weight of 359.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 46286590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).