N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C14H18N4O3 — CID 46517831

IUPACN-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H18N4O3/c1-4-5-6-15-12(19)9-7-10-11(16-8-9)17(2)14(21)18(3)13(10)20/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyCEZKXTWVAXDYSP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.16
Rot. Bonds4

About N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46517831) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46517831
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H18N4O3/c1-4-5-6-15-12(19)9-7-10-11(16-8-9)17(2)14(21)18(3)13(10)20/h7-8H,4-6H2,1-3H3,(H,15,19)
InChIKeyCEZKXTWVAXDYSP-UHFFFAOYSA-N
XLogP0.16
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78867565
N-[3-(N-ethylanilino)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37316730
1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552128
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 97014371
1,3-dimethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 30885393
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 46517831) is N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CEZKXTWVAXDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-5-6-15-12(19)9-7-10-11(16-8-9)17(2)14(21)18(3)13(10)20/h7-8H,4-6H2,1-3H3,(H,15,19).
What are the key properties of N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46517831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).