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

C14H17N3O3 — CID 115673352

IUPACN-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)6-8-16(2)13(19)11-9-15-12-5-3-4-7-17(12)14(11)20/h3-5,7,9-10,18H,6,8H2,1-2H3
InChIKeyPBUBGGDKNOZFMG-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.54
Rot. Bonds4

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

N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 115673352) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID115673352
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)6-8-16(2)13(19)11-9-15-12-5-3-4-7-17(12)14(11)20/h3-5,7,9-10,18H,6,8H2,1-2H3
InChIKeyPBUBGGDKNOZFMG-UHFFFAOYSA-N
XLogP0.54
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795807
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-methyl-4-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 51121248
N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135686740
N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134053942

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 115673352) is N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(O)CCN(C)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PBUBGGDKNOZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)6-8-16(2)13(19)11-9-15-12-5-3-4-7-17(12)14(11)20/h3-5,7,9-10,18H,6,8H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 115673352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).