N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C18H25ClN4O3 — CID 120890762

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCNCC1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-13-3-8-22-15(9-13)20-10-14(17(22)24)16(23)21-11-18(12-25-2)4-6-19-7-5-18;/h3,8-10,19H,4-7,11-12H2,1-2H3,(H,21,23);1H
InChIKeyIJBNJDFNGORNIA-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.17
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120890762) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120890762
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCNCC1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-13-3-8-22-15(9-13)20-10-14(17(22)24)16(23)21-11-18(12-25-2)4-6-19-7-5-18;/h3,8-10,19H,4-7,11-12H2,1-2H3,(H,21,23);1H
InChIKeyIJBNJDFNGORNIA-UHFFFAOYSA-N
XLogP1.17
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811999
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
CID 120887927
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60573346
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 120890762) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2cnc3cc(C)ccn3c2=O)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is IJBNJDFNGORNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-13-3-8-22-15(9-13)20-10-14(17(22)24)16(23)21-11-18(12-25-2)4-6-19-7-5-18;/h3,8-10,19H,4-7,11-12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120890762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).