methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate

C26H33N3O6 — CID 25305978

IUPACmethyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOCCn1cc(C(=O)NCCC(=O)OC)c(=O)c(C(=O)NCC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C26H33N3O6/c1-34-15-14-29-16-20(24(32)27-13-10-22(30)35-2)23(31)21(17-29)25(33)28-18-26(11-6-7-12-26)19-8-4-3-5-9-19/h3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyAZOVXJFTQFJDIK-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.03
Rot. Bonds11

About methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate

methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate (PubChem CID 25305978) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
PubChem CID25305978
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Namemethyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
SMILESCOCCn1cc(C(=O)NCCC(=O)OC)c(=O)c(C(=O)NCC2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C26H33N3O6/c1-34-15-14-29-16-20(24(32)27-13-10-22(30)35-2)23(31)21(17-29)25(33)28-18-26(11-6-7-12-26)19-8-4-3-5-9-19/h3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyAZOVXJFTQFJDIK-UHFFFAOYSA-N
XLogP2.03
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 42499399
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 28810026
1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
CID 26403133
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
methyl 2-[2-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55871591
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
5-(methoxymethyl)-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 86918294

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate (CID 25305978) is methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate is COCCn1cc(C(=O)NCCC(=O)OC)c(=O)c(C(=O)NCC2(c3ccccc3)CCCC2)c1.
What is the InChIKey of methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate?
The InChIKey is AZOVXJFTQFJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-34-15-14-29-16-20(24(32)27-13-10-22(30)35-2)23(31)21(17-29)25(33)28-18-26(11-6-7-12-26)19-8-4-3-5-9-19/h3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate?
methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 483.57 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 25305978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).