N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C14H16N4O3 — CID 77081692

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)nc1
InChIInChI=1S/C14H16N4O3/c1-3-9-4-5-10(15-6-9)8-18(2)13(20)11-7-16-14(21)17-12(11)19/h4-7H,3,8H2,1-2H3,(H2,16,17,19,21)
InChIKeyCBXWVASDAWIUOR-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.29
Rot. Bonds4

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 77081692) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID77081692
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)nc1
InChIInChI=1S/C14H16N4O3/c1-3-9-4-5-10(15-6-9)8-18(2)13(20)11-7-16-14(21)17-12(11)19/h4-7H,3,8H2,1-2H3,(H2,16,17,19,21)
InChIKeyCBXWVASDAWIUOR-UHFFFAOYSA-N
XLogP0.29
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
5-cyclohexyl-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 70760963
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 77094882
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 56909120
N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
CID 50948874
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 56754468
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 77081692) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCc1ccc(CN(C)C(=O)c2c[nH]c(=O)[nH]c2=O)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CBXWVASDAWIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-9-4-5-10(15-6-9)8-18(2)13(20)11-7-16-14(21)17-12(11)19/h4-7H,3,8H2,1-2H3,(H2,16,17,19,21).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 77081692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).