6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

C20H17N3O3 — CID 13369389

IUPAC6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C20H17N3O3/c1-12-6-9-17(18-21-11-16(20(25)26)19(24)23(12)18)22-15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-12,22H,6H2,1H3,(H,25,26)
InChIKeyDJKXBBHCQZSGMB-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.51
Rot. Bonds3

About 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13369389) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13369389
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C20H17N3O3/c1-12-6-9-17(18-21-11-16(20(25)26)19(24)23(12)18)22-15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-12,22H,6H2,1H3,(H,25,26)
InChIKeyDJKXBBHCQZSGMB-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13369389) is 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC1CC=C(Nc2ccc3ccccc3c2)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is DJKXBBHCQZSGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-6-9-17(18-21-11-16(20(25)26)19(24)23(12)18)22-15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-12,22H,6H2,1H3,(H,25,26).
What are the key properties of 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13369389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).