N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C14H19ClN4O2 — CID 119505266

IUPACN-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnc2cc(C)ccn2c1=O.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-3-15-5-6-16-13(19)11-9-17-12-8-10(2)4-7-18(12)14(11)20;/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19);1H
InChIKeyOHQZJRLOTQVHOA-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.76
Rot. Bonds5

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

N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 119505266) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID119505266
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnc2cc(C)ccn2c1=O.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-3-15-5-6-16-13(19)11-9-17-12-8-10(2)4-7-18(12)14(11)20;/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19);1H
InChIKeyOHQZJRLOTQVHOA-UHFFFAOYSA-N
XLogP0.76
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 166201595
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
N-(1-aminopropan-2-yl)-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119581850
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120890762
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207034
8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 60548231
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 119505266) is N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is CCNCCNC(=O)c1cnc2cc(C)ccn2c1=O.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is OHQZJRLOTQVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-3-15-5-6-16-13(19)11-9-17-12-8-10(2)4-7-18(12)14(11)20;/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119505266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).