N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H21N3O2S — CID 60553080

IUPACN-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3ccccc3SC3CCCC3)cnc2c1
InChIInChI=1S/C21H21N3O2S/c1-14-10-11-24-19(12-14)22-13-16(21(24)26)20(25)23-17-8-4-5-9-18(17)27-15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyOYVNYNGYMQAGHK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.29
Rot. Bonds4

About N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60553080) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60553080
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)Nc3ccccc3SC3CCCC3)cnc2c1
InChIInChI=1S/C21H21N3O2S/c1-14-10-11-24-19(12-14)22-13-16(21(24)26)20(25)23-17-8-4-5-9-18(17)27-15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyOYVNYNGYMQAGHK-UHFFFAOYSA-N
XLogP4.29
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
3-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255946
N-(2-(methylthio)phenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4123589
7-methyl-N-(2-(methylthio)phenyl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802277
N-(2-(methylthio)phenyl)-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867800
7-methyl-N-(2-(methylthio)phenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878768
N-(2-{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thio}phenyl)acetamide
CID 20939248
1-(3-Fluorophenyl)-3-{2-[({4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methyl)sulfanyl]phenyl}urea
CID 46331984
N-(2-fluorophenyl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
CID 46332009
N-{2-[({2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]phenyl}acetamide
CID 46336450
N-(4-Fluorophenyl)-2-[({7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-2-YL}methyl)sulfanyl]acetamide
CID 8264082
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8264109

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 60553080) is N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)Nc3ccccc3SC3CCCC3)cnc2c1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OYVNYNGYMQAGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-10-11-24-19(12-14)22-13-16(21(24)26)20(25)23-17-8-4-5-9-18(17)27-15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,25).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60553080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).