4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H22N4O3 — CID 56713311

IUPAC4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCCn2c(C)cccc2=O)C(C)NC(=O)N1
InChIInChI=1S/C16H22N4O3/c1-10-6-4-7-13(21)20(10)9-5-8-17-15(22)14-11(2)18-16(23)19-12(14)3/h4,6-7,11H,5,8-9H2,1-3H3,(H,17,22)(H2,18,19,23)
InChIKeyQKQONQBSGCNWRV-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.64
Rot. Bonds5

About 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56713311) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56713311
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCCn2c(C)cccc2=O)C(C)NC(=O)N1
InChIInChI=1S/C16H22N4O3/c1-10-6-4-7-13(21)20(10)9-5-8-17-15(22)14-11(2)18-16(23)19-12(14)3/h4,6-7,11H,5,8-9H2,1-3H3,(H,17,22)(H2,18,19,23)
InChIKeyQKQONQBSGCNWRV-UHFFFAOYSA-N
XLogP0.64
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-ethyl-3-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]piperidine-3-carboxamide
CID 97197940
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95225709
1-(cyclopropylmethyl)-2-methyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111870068
2-methyl-1-(2-methylcyclopropyl)-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111963391
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one
CID 62566203

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56713311) is 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCCn2c(C)cccc2=O)C(C)NC(=O)N1.
What is the InChIKey of 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is QKQONQBSGCNWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-6-4-7-13(21)20(10)9-5-8-17-15(22)14-11(2)18-16(23)19-12(14)3/h4,6-7,11H,5,8-9H2,1-3H3,(H,17,22)(H2,18,19,23).
What are the key properties of 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56713311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).