N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H24N4O3 — CID 121384967

IUPACN-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccn2c(=O)c(C(=O)NC3CCCCC3)cnc2c1O
InChIInChI=1S/C18H24N4O3/c1-21(2)11-12-8-9-22-16(15(12)23)19-10-14(18(22)25)17(24)20-13-6-4-3-5-7-13/h8-10,13,23H,3-7,11H2,1-2H3,(H,20,24)
InChIKeyKHOGTBVNBWNQPW-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.52
Rot. Bonds4

About N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 121384967) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID121384967
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccn2c(=O)c(C(=O)NC3CCCCC3)cnc2c1O
InChIInChI=1S/C18H24N4O3/c1-21(2)11-12-8-9-22-16(15(12)23)19-10-14(18(22)25)17(24)20-13-6-4-3-5-7-13/h8-10,13,23H,3-7,11H2,1-2H3,(H,20,24)
InChIKeyKHOGTBVNBWNQPW-UHFFFAOYSA-N
XLogP1.52
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384970
3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 130433396
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942952
N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136520292
N-[1-(cyclopentanecarbonyl)azepan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 70774435
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92701082

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 121384967) is N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(C)Cc1ccn2c(=O)c(C(=O)NC3CCCCC3)cnc2c1O.
What is the InChIKey of N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KHOGTBVNBWNQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(2)11-12-8-9-22-16(15(12)23)19-10-14(18(22)25)17(24)20-13-6-4-3-5-7-13/h8-10,13,23H,3-7,11H2,1-2H3,(H,20,24).
What are the key properties of N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121384967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).