N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide

C19H22N4O3 — CID 51151302

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,21,24,26)
InChIKeyPYRFZHDPHRUROD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.49
Rot. Bonds4

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 51151302) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID51151302
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,21,24,26)
InChIKeyPYRFZHDPHRUROD-UHFFFAOYSA-N
XLogP1.49
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55336429
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(4-ethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55336452
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55487661
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopent-2-en-1-yl-N-ethylacetamide
CID 16561830
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide (CID 51151302) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide is CN(C(=O)C1CC=CCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is PYRFZHDPHRUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-6,8-9,14H,7,10-12,20H2,1H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51151302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).