N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C20H20N4O2S — CID 72928061

IUPACN-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(CCSc1ccccc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H20N4O2S/c1-2-24(11-12-27-16-8-4-3-5-9-16)20(26)17-14-22-18(23-19(17)25)15-7-6-10-21-13-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,23,25)
InChIKeyKBTAMSKCIXGRES-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.09
Rot. Bonds7

About N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72928061) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72928061
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(CCSc1ccccc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H20N4O2S/c1-2-24(11-12-27-16-8-4-3-5-9-16)20(26)17-14-22-18(23-19(17)25)15-7-6-10-21-13-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,23,25)
InChIKeyKBTAMSKCIXGRES-UHFFFAOYSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72870603
N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72858578
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72908260
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97115377
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97129962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72928061) is N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is CCN(CCSc1ccccc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is KBTAMSKCIXGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-24(11-12-27-16-8-4-3-5-9-16)20(26)17-14-22-18(23-19(17)25)15-7-6-10-21-13-15/h3-10,13-14H,2,11-12H2,1H3,(H,22,23,25).
What are the key properties of N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).