N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N3O4S — CID 164641946

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-16(13-7-9-14(10-8-13)27(2,25)26)21-18(23)15-12-20-17-6-4-5-11-22(17)19(15)24/h4-12,16H,3H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyVIVDRNQXOURBJW-INIZCTEOSA-N
MW385.45 g/mol
LogP1.98
Rot. Bonds5

About N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 164641946) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID164641946
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-16(13-7-9-14(10-8-13)27(2,25)26)21-18(23)15-12-20-17-6-4-5-11-22(17)19(15)24/h4-12,16H,3H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyVIVDRNQXOURBJW-INIZCTEOSA-N
XLogP1.98
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 164641946) is N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VIVDRNQXOURBJW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-16(13-7-9-14(10-8-13)27(2,25)26)21-18(23)15-12-20-17-6-4-5-11-22(17)19(15)24/h4-12,16H,3H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164641946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).