N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H13N3O3S — CID 111441739

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H13N3O3S/c19-12(10-4-6-22-9-10)8-17-14(20)11-7-16-13-3-1-2-5-18(13)15(11)21/h1-7,9,12,19H,8H2,(H,17,20)
InChIKeyMIRCIAUKHQCCRI-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.22
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111441739) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111441739
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H13N3O3S/c19-12(10-4-6-22-9-10)8-17-14(20)11-7-16-13-3-1-2-5-18(13)15(11)21/h1-7,9,12,19H,8H2,(H,17,20)
InChIKeyMIRCIAUKHQCCRI-UHFFFAOYSA-N
XLogP1.22
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173415
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
N-[(3-methylthiophen-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134059639
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94677835
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111441739) is N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(O)c1ccsc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MIRCIAUKHQCCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-12(10-4-6-22-9-10)8-17-14(20)11-7-16-13-3-1-2-5-18(13)15(11)21/h1-7,9,12,19H,8H2,(H,17,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111441739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).