N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C14H18N4O4 — CID 138044634

IUPACN-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H18N4O4/c1-4-14(2,22)7-16-11(19)8-5-9-10(15-6-8)18(3)13(21)17-12(9)20/h5-6,22H,4,7H2,1-3H3,(H,16,19)(H,17,20,21)
InChIKeyDSWYMSCKZCUGBI-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.49
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 138044634) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID138044634
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H18N4O4/c1-4-14(2,22)7-16-11(19)8-5-9-10(15-6-8)18(3)13(21)17-12(9)20/h5-6,22H,4,7H2,1-3H3,(H,16,19)(H,17,20,21)
InChIKeyDSWYMSCKZCUGBI-UHFFFAOYSA-N
XLogP-0.49
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
N-[(4-chloro-3-methylphenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 136530628
(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 120614136
1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24674520
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(2-ethoxyethyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 87046001
tert-butyl N-[1-[[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]methyl]cycloheptyl]carbamate
CID 31865201
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632331
N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55678363
1-phenylpropyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167981393

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 138044634) is N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCC(C)(O)CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DSWYMSCKZCUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-4-14(2,22)7-16-11(19)8-5-9-10(15-6-8)18(3)13(21)17-12(9)20/h5-6,22H,4,7H2,1-3H3,(H,16,19)(H,17,20,21).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 306.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 138044634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).