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

C16H21N3O3 — CID 111447162

IUPACN-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)CC(C)O)cnc2c1
InChIInChI=1S/C16H21N3O3/c1-10-4-5-19-14(7-10)17-9-13(16(19)22)15(21)18-8-11(2)6-12(3)20/h4-5,7,9,11-12,20H,6,8H2,1-3H3,(H,18,21)
InChIKeyFIZHTTIQLALVHP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.14
Rot. Bonds5

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

N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111447162) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111447162
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)CC(C)O)cnc2c1
InChIInChI=1S/C16H21N3O3/c1-10-4-5-19-14(7-10)17-9-13(16(19)22)15(21)18-8-11(2)6-12(3)20/h4-5,7,9,11-12,20H,6,8H2,1-3H3,(H,18,21)
InChIKeyFIZHTTIQLALVHP-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(3,5-dimethylpiperidin-1-yl)propyl)-2-hydroxy-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853280
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-(4-methoxybutyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45824752
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-(3-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64458520
N-[(2-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65833603
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65995539
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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111447162) is N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(C)CC(C)O)cnc2c1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FIZHTTIQLALVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-4-5-19-14(7-10)17-9-13(16(19)22)15(21)18-8-11(2)6-12(3)20/h4-5,7,9,11-12,20H,6,8H2,1-3H3,(H,18,21).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111447162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).