5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide

C26H35N3O4 — CID 42499399

IUPAC5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(CCOC)cc(C(=O)NCC2(c3ccccc3)CCCC2)c1=O
InChIInChI=1S/C26H35N3O4/c1-3-4-14-27-24(31)21-17-29(15-16-33-2)18-22(23(21)30)25(32)28-19-26(12-8-9-13-26)20-10-6-5-7-11-20/h5-7,10-11,17-18H,3-4,8-9,12-16,19H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGXNXPTZGBNKYNR-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.27
Rot. Bonds11

About 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide

5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 42499399) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID42499399
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(CCOC)cc(C(=O)NCC2(c3ccccc3)CCCC2)c1=O
InChIInChI=1S/C26H35N3O4/c1-3-4-14-27-24(31)21-17-29(15-16-33-2)18-22(23(21)30)25(32)28-19-26(12-8-9-13-26)20-10-6-5-7-11-20/h5-7,10-11,17-18H,3-4,8-9,12-16,19H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGXNXPTZGBNKYNR-UHFFFAOYSA-N
XLogP3.27
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
CID 25305978
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
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852754
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide (CID 42499399) is 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cn(CCOC)cc(C(=O)NCC2(c3ccccc3)CCCC2)c1=O.
What is the InChIKey of 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is GXNXPTZGBNKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-3-4-14-27-24(31)21-17-29(15-16-33-2)18-22(23(21)30)25(32)28-19-26(12-8-9-13-26)20-10-6-5-7-11-20/h5-7,10-11,17-18H,3-4,8-9,12-16,19H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide?
5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 453.58 g/mol, XLogP of 3.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42499399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).