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

C14H18N4O2 — CID 119430115

IUPAC8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNCCCNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C14H18N4O2/c1-10-4-7-18-12(8-10)17-9-11(14(18)20)13(19)16-6-3-5-15-2/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19)
InChIKeyCOBJMZKJGUVHJN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.34
Rot. Bonds5

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

8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119430115) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119430115
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCNCCCNC(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C14H18N4O2/c1-10-4-7-18-12(8-10)17-9-11(14(18)20)13(19)16-6-3-5-15-2/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19)
InChIKeyCOBJMZKJGUVHJN-UHFFFAOYSA-N
XLogP0.34
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 166201595
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
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
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119430115) is 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CNCCCNC(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is COBJMZKJGUVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-4-7-18-12(8-10)17-9-11(14(18)20)13(19)16-6-3-5-15-2/h4,7-9,15H,3,5-6H2,1-2H3,(H,16,19).
What are the key properties of 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119430115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).