5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide

C18H21N5O3 — CID 90714043

IUPAC5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)c1cccc(C2C(C#N)C(C)=NC(=O)N2C(=O)NCC)c1
InChIInChI=1S/C18H21N5O3/c1-4-20-16(24)13-8-6-7-12(9-13)15-14(10-19)11(3)22-18(26)23(15)17(25)21-5-2/h6-9,14-15H,4-5H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyVEWVVZGLGVPUKD-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.24
Rot. Bonds4

About 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide

5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide (PubChem CID 90714043) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
PubChem CID90714043
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)c1cccc(C2C(C#N)C(C)=NC(=O)N2C(=O)NCC)c1
InChIInChI=1S/C18H21N5O3/c1-4-20-16(24)13-8-6-7-12(9-13)15-14(10-19)11(3)22-18(26)23(15)17(25)21-5-2/h6-9,14-15H,4-5H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyVEWVVZGLGVPUKD-UHFFFAOYSA-N
XLogP2.24
TPSA114.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 91590024
4-(3-bromo-4-fluorophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 90833136
4-[[3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzoyl]amino]butanoic acid
CID 91309166
3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 91613492
N-cyano-3-methylbenzamide
CID 79195079
3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(2-piperidin-4-ylethyl)benzamide
CID 91112447
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
ethyl 5-cyano-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyrimidine-3-carboxylate
CID 90815769
N-ethyl-3-hydroxybenzamide
CID 13175248
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
CID 110917968

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide (CID 90714043) is 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide is CCNC(=O)c1cccc(C2C(C#N)C(C)=NC(=O)N2C(=O)NCC)c1.
What is the InChIKey of 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The InChIKey is VEWVVZGLGVPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-20-16(24)13-8-6-7-12(9-13)15-14(10-19)11(3)22-18(26)23(15)17(25)21-5-2/h6-9,14-15H,4-5H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-4-[3-(ethylcarbamoyl)phenyl]-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 90714043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).