N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide

C14H12N6O4 — CID 70736396

IUPACN-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H12N6O4/c1-20(13(22)9-5-10(21)17-14(23)16-9)7-11-18-12(19-24-11)8-3-2-4-15-6-8/h2-6H,7H2,1H3,(H2,16,17,21,23)
InChIKeyOGVNPRAGOYZUNB-UHFFFAOYSA-N
MW328.29 g/mol
LogP-0.22
Rot. Bonds4

About N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide

N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide (PubChem CID 70736396) has the molecular formula C14H12N6O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
PubChem CID70736396
Molecular FormulaC14H12N6O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC NameN-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H12N6O4/c1-20(13(22)9-5-10(21)17-14(23)16-9)7-11-18-12(19-24-11)8-3-2-4-15-6-8/h2-6H,7H2,1H3,(H2,16,17,21,23)
InChIKeyOGVNPRAGOYZUNB-UHFFFAOYSA-N
XLogP-0.22
TPSA137.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
N,5-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indazole-7-carboxamide
CID 155947626
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 70716110
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70759969
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70717806
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 136857791
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97143739
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 95769380

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide (CID 70736396) is N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide is CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is OGVNPRAGOYZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4/c1-20(13(22)9-5-10(21)17-14(23)16-9)7-11-18-12(19-24-11)8-3-2-4-15-6-8/h2-6H,7H2,1H3,(H2,16,17,21,23).
What are the key properties of N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide?
N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 328.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 70736396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).