N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H23N3O3 — CID 111115914

IUPACN-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)9-19-16(22)13-8-18-15-7-6-11(3)10-20(15)17(13)23/h6-8,10,12,14,21H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyZBXDQPSRCPTUCR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111115914) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111115914
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)9-19-16(22)13-8-18-15-7-6-11(3)10-20(15)17(13)23/h6-8,10,12,14,21H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyZBXDQPSRCPTUCR-UHFFFAOYSA-N
XLogP1.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519774
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66004533
N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66109065
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 79252263
N-(1-hydroxy-3-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 79252881
N-(2-ethyl-4-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80304073
N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103770787
N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107300133
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109380801
N-(3-hydroxy-2,2,4-trimethylpentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109381170

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111115914) is N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZBXDQPSRCPTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-12(5-2)14(21)9-19-16(22)13-8-18-15-7-6-11(3)10-20(15)17(13)23/h6-8,10,12,14,21H,4-5,9H2,1-3H3,(H,19,22).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111115914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).