4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide

C19H20ClN3O3S — CID 18077084

IUPAC4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-3-9-22(27(25,26)17-6-4-15(20)5-7-17)13-16-12-19(24)23-10-8-14(2)11-18(23)21-16/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyUZJYHUUUWYCCPP-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide

4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide (PubChem CID 18077084) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide
PubChem CID18077084
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c1-3-9-22(27(25,26)17-6-4-15(20)5-7-17)13-16-12-19(24)23-10-8-14(2)11-18(23)21-16/h4-8,10-12H,3,9,13H2,1-2H3
InChIKeyUZJYHUUUWYCCPP-UHFFFAOYSA-N
XLogP3.26
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[(4-chlorophenyl)sulfonyl]-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
CID 1838661
1-Sec-butyl-3-((4-chlorophenyl)sulfonyl)-2-imino-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
CID 3153553
2-[[4-(Benzenesulfonyl)piperazin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 8159835
3-[[4-(4-Chloro-3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1-(cyclopropylmethyl)-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094534
3-[2-(4-Benzenesulfonyl-piperazin-1-yl)-ethyl]-2-methyl-pyrido[1,2-a]pyrimidin-4-one
CID 129825079
3-{2-[4-(4-Chloro-benzenesulfonyl)-piperazin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a] pyrimidin-4-one
CID 129825200
2-[[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8107263
2-[[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8517051
2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 17408669
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 24388706
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42912161
4-fluoro-N-methyl-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzenesulfonamide
CID 45723853

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide (CID 18077084) is 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide is CCCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide?
The InChIKey is UZJYHUUUWYCCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-3-9-22(27(25,26)17-6-4-15(20)5-7-17)13-16-12-19(24)23-10-8-14(2)11-18(23)21-16/h4-8,10-12H,3,9,13H2,1-2H3.
What are the key properties of 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide?
4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 18077084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).