3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide

C19H20N6O3 — CID 167983854

IUPAC3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C19H20N6O3/c1-20-17(27)11-22-19(28)12-4-2-5-13(10-12)23-16(26)8-7-15-24-14-6-3-9-21-18(14)25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,27)(H,22,28)(H,23,26)(H,21,24,25)
InChIKeyDMTFEUPELMNWDR-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.00
Rot. Bonds7

About 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide

3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 167983854) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID167983854
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C19H20N6O3/c1-20-17(27)11-22-19(28)12-4-2-5-13(10-12)23-16(26)8-7-15-24-14-6-3-9-21-18(14)25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,27)(H,22,28)(H,23,26)(H,21,24,25)
InChIKeyDMTFEUPELMNWDR-UHFFFAOYSA-N
XLogP1.00
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)-2-oxoethyl]-3-[3-(2-phenyl-1H-indol-3-yl)propanoylamino]benzamide
CID 166355298
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
CID 100736274
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-indole-6-carboxamide
CID 99840834
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
methyl 2-[[3-(octanoylamino)benzoyl]amino]acetate
CID 60513877
N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 167983854) is 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cccc(NC(=O)CCc2nc3ncccc3[nH]2)c1.
What is the InChIKey of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is DMTFEUPELMNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-20-17(27)11-22-19(28)12-4-2-5-13(10-12)23-16(26)8-7-15-24-14-6-3-9-21-18(14)25-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,27)(H,22,28)(H,23,26)(H,21,24,25).
What are the key properties of 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 167983854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).