ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate

C17H17N5O3 — CID 162221283

IUPACethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccc2[nH]cnc2n1)c1ccccn1
InChIInChI=1S/C17H17N5O3/c1-2-25-15(23)8-10-22(14-5-3-4-9-18-14)17(24)13-7-6-12-16(21-13)20-11-19-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,20,21)
InChIKeyZUDSLBUNAZSICW-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.95
Rot. Bonds6

About ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate

ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate (PubChem CID 162221283) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
PubChem CID162221283
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Nameethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccc2[nH]cnc2n1)c1ccccn1
InChIInChI=1S/C17H17N5O3/c1-2-25-15(23)8-10-22(14-5-3-4-9-18-14)17(24)13-7-6-12-16(21-13)20-11-19-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,20,21)
InChIKeyZUDSLBUNAZSICW-UHFFFAOYSA-N
XLogP1.95
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 141002217
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571
ethyl 2-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]acetate;dihydrochloride
CID 141002162
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 141446901
ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909548
ethyl 3-[[4-(methylamino)-3-nitrosobenzoyl]-pyridin-2-ylamino]propanoate
CID 88954755
ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate
CID 141002177
ethyl 3-[(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909549
ethyl 3-[[3-[(2-chloroacetyl)amino]-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
CID 71494900
ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate;hydrobromide
CID 56598198

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate (CID 162221283) is ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate is CCOC(=O)CCN(C(=O)c1ccc2[nH]cnc2n1)c1ccccn1.
What is the InChIKey of ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate?
The InChIKey is ZUDSLBUNAZSICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-25-15(23)8-10-22(14-5-3-4-9-18-14)17(24)13-7-6-12-16(21-13)20-11-19-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,20,21).
What are the key properties of ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate?
ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate has a molecular weight of 339.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate is sourced from PubChem (CID 162221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).