1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea

C17H24N4O4 — CID 71878522

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
SMILESCOc1c(C)cnc(CNC(=O)NCCCN2C(=O)CCC2=O)c1C
InChIInChI=1S/C17H24N4O4/c1-11-9-19-13(12(2)16(11)25-3)10-20-17(24)18-7-4-8-21-14(22)5-6-15(21)23/h9H,4-8,10H2,1-3H3,(H2,18,20,24)
InChIKeyZRZARNZIOMIATI-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.05
Rot. Bonds7

About 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea

1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea (PubChem CID 71878522) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
PubChem CID71878522
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
SMILESCOc1c(C)cnc(CNC(=O)NCCCN2C(=O)CCC2=O)c1C
InChIInChI=1S/C17H24N4O4/c1-11-9-19-13(12(2)16(11)25-3)10-20-17(24)18-7-4-8-21-14(22)5-6-15(21)23/h9H,4-8,10H2,1-3H3,(H2,18,20,24)
InChIKeyZRZARNZIOMIATI-UHFFFAOYSA-N
XLogP1.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387784
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 94353102
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353473
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
CID 49354766
1-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
CID 95113509
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94353144
3-(benzimidazol-1-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
CID 131929542

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea (CID 71878522) is 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea is COc1c(C)cnc(CNC(=O)NCCCN2C(=O)CCC2=O)c1C.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea?
The InChIKey is ZRZARNZIOMIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-9-19-13(12(2)16(11)25-3)10-20-17(24)18-7-4-8-21-14(22)5-6-15(21)23/h9H,4-8,10H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea?
1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea has a molecular weight of 348.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 71878522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).