5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C30H37N3O4 — CID 136509373

IUPAC5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCOc1c(C(=O)N(CCO)C2CC2)nc(CC2(c3cccc4ccccc34)CCCC2)[nH]c1=O
InChIInChI=1S/C30H37N3O4/c1-2-3-19-37-27-26(29(36)33(17-18-34)22-13-14-22)31-25(32-28(27)35)20-30(15-6-7-16-30)24-12-8-10-21-9-4-5-11-23(21)24/h4-5,8-12,22,34H,2-3,6-7,13-20H2,1H3,(H,31,32,35)
InChIKeyHMPOLTFDKOQYSO-UHFFFAOYSA-N
MW503.64 g/mol
LogP4.75
Rot. Bonds11

About 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136509373) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136509373
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC Name5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCOc1c(C(=O)N(CCO)C2CC2)nc(CC2(c3cccc4ccccc34)CCCC2)[nH]c1=O
InChIInChI=1S/C30H37N3O4/c1-2-3-19-37-27-26(29(36)33(17-18-34)22-13-14-22)31-25(32-28(27)35)20-30(15-6-7-16-30)24-12-8-10-21-9-4-5-11-23(21)24/h4-5,8-12,22,34H,2-3,6-7,13-20H2,1H3,(H,31,32,35)
InChIKeyHMPOLTFDKOQYSO-UHFFFAOYSA-N
XLogP4.75
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.64
LogP ≤ 54.75
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

5-butoxy-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-N-(oxetan-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136509394
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509176
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-cyclopropyl-5-hydroxy-6-oxo-2-[(1-pyridin-2-ylcyclopentyl)methyl]-1H-pyrimidine-4-carboxamide
CID 136509280
tert-butyl 5-butoxy-2-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 136509415
6-oxo-2-[(1-phenylcyclopentyl)methyl]-5-phenylmethoxy-1H-pyrimidine-4-carboxylic acid
CID 136509186
5-butoxy-6-oxo-2-[(3-phenyl-2-pyridinyl)methyl]-1H-pyrimidine-4-carboxylic acid
CID 136509331
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
tert-butyl 5-butoxy-2-[[2-(2,3-difluorophenyl)phenyl]methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 136509305
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 43576656
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-cyclopentyl-N-(2-hydroxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115776850

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136509373) is 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is CCCCOc1c(C(=O)N(CCO)C2CC2)nc(CC2(c3cccc4ccccc34)CCCC2)[nH]c1=O.
What is the InChIKey of 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HMPOLTFDKOQYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-2-3-19-37-27-26(29(36)33(17-18-34)22-13-14-22)31-25(32-28(27)35)20-30(15-6-7-16-30)24-12-8-10-21-9-4-5-11-23(21)24/h4-5,8-12,22,34H,2-3,6-7,13-20H2,1H3,(H,31,32,35).
What are the key properties of 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 503.64 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-cyclopropyl-N-(2-hydroxyethyl)-2-[(1-naphthalen-1-ylcyclopentyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136509373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).