2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide

C22H22N4O3S — CID 112819960

IUPAC2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C22H22N4O3S/c1-14-19(22(30-2)25-20(23-14)17-9-6-12-29-17)21(28)24-15-7-5-8-16(13-15)26-11-4-3-10-18(26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,28)
InChIKeySFRWPHYPYQYJTO-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.54
Rot. Bonds5

About 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 112819960) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID112819960
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C22H22N4O3S/c1-14-19(22(30-2)25-20(23-14)17-9-6-12-29-17)21(28)24-15-7-5-8-16(13-15)26-11-4-3-10-18(26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,28)
InChIKeySFRWPHYPYQYJTO-UHFFFAOYSA-N
XLogP4.54
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55661802
2-(furan-2-yl)-4-methyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844948
2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55530701
2-(furan-2-yl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 55550240
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
N-[4-(dimethylamino)-2-methylphenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55779899
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 56530071
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 120622526
2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 112832848

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide (CID 112819960) is 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is SFRWPHYPYQYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14-19(22(30-2)25-20(23-14)17-9-6-12-29-17)21(28)24-15-7-5-8-16(13-15)26-11-4-3-10-18(26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,28).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[3-(2-oxopiperidin-1-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 112819960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).