N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide

C11H16N4O3 — CID 43602104

IUPACN-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1
InChIInChI=1S/C11H16N4O3/c1-15(7-2-4-12-5-3-7)10(17)8-6-13-11(18)14-9(8)16/h6-7,12H,2-5H2,1H3,(H2,13,14,16,18)
InChIKeyMJGJUGAKCDYNAL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.11
Rot. Bonds2

About N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide

N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (PubChem CID 43602104) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
PubChem CID43602104
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1
InChIInChI=1S/C11H16N4O3/c1-15(7-2-4-12-5-3-7)10(17)8-6-13-11(18)14-9(8)16/h6-7,12H,2-5H2,1H3,(H2,13,14,16,18)
InChIKeyMJGJUGAKCDYNAL-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110853041
N-cyclopropyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 79701478
N-methyl-7-oxo-N-piperidin-4-yl-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121334702
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
CID 79701435
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N-cyclopropyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717557
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
N-cyclopropyl-N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 136513269
N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 107172588
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (CID 43602104) is N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide is CN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1.
What is the InChIKey of N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is MJGJUGAKCDYNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-15(7-2-4-12-5-3-7)10(17)8-6-13-11(18)14-9(8)16/h6-7,12H,2-5H2,1H3,(H2,13,14,16,18).
What are the key properties of N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 43602104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).