N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H21N3O3 — CID 110002665

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H21N3O3/c1-4-16(3,6-8-20)18-14(21)12-10-17-13-9-11(2)5-7-19(13)15(12)22/h5,7,9-10,20H,4,6,8H2,1-3H3,(H,18,21)
InChIKeyDOSOQHNJZJHZOP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.28
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110002665) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110002665
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H21N3O3/c1-4-16(3,6-8-20)18-14(21)12-10-17-13-9-11(2)5-7-19(13)15(12)22/h5,7,9-10,20H,4,6,8H2,1-3H3,(H,18,21)
InChIKeyDOSOQHNJZJHZOP-UHFFFAOYSA-N
XLogP1.28
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(3-hydroxypropyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680995
2-hydroxy-N-(1-hydroxybutan-2-yl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680997
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417621
N-(1-hydroxy-2-methylpropan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43500687
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519471
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519774
N-(1-hydroxy-2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64556962
N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65031816
N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66109065
N-(3-ethylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 75422235
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 79252263

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110002665) is N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(C)(CCO)NC(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DOSOQHNJZJHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-16(3,6-8-20)18-14(21)12-10-17-13-9-11(2)5-7-19(13)15(12)22/h5,7,9-10,20H,4,6,8H2,1-3H3,(H,18,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110002665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).