N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide

C28H30N4O4 — CID 84561426

IUPACN-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1c(C)nc2ccccn12
InChIInChI=1S/C28H30N4O4/c1-4-35-24-18-22(31-28(34)20-11-7-6-8-12-20)25(36-5-2)17-21(24)30-27(33)15-14-23-19(3)29-26-13-9-10-16-32(23)26/h6-13,16-18H,4-5,14-15H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyJNTCZXKAUKWIMT-UHFFFAOYSA-N
MW486.57 g/mol
LogP5.26
Rot. Bonds10

About N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide (PubChem CID 84561426) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
PubChem CID84561426
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1c(C)nc2ccccn12
InChIInChI=1S/C28H30N4O4/c1-4-35-24-18-22(31-28(34)20-11-7-6-8-12-20)25(36-5-2)17-21(24)30-27(33)15-14-23-19(3)29-26-13-9-10-16-32(23)26/h6-13,16-18H,4-5,14-15H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyJNTCZXKAUKWIMT-UHFFFAOYSA-N
XLogP5.26
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(4-tert-butylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569578
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 84561480
2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid
CID 84561430
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 84561942

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide (CID 84561426) is N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1c(C)nc2ccccn12.
What is the InChIKey of N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide?
The InChIKey is JNTCZXKAUKWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-4-35-24-18-22(31-28(34)20-11-7-6-8-12-20)25(36-5-2)17-21(24)30-27(33)15-14-23-19(3)29-26-13-9-10-16-32(23)26/h6-13,16-18H,4-5,14-15H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 84561426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).