2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide

C20H23N3O3 — CID 46951597

IUPAC2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccccc1OCCCNC(=O)C1(C)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C20H23N3O3/c1-15-8-3-4-9-16(15)26-13-7-11-21-19(25)20(2)14-18(24)23-12-6-5-10-17(23)22-20/h3-6,8-10,12H,7,11,13-14H2,1-2H3,(H,21,25)
InChIKeyVJYPUAPHUUXNFP-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.35
Rot. Bonds6

About 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide

2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46951597) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID46951597
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1ccccc1OCCCNC(=O)C1(C)CC(=O)N2C=CC=CC2=N1
InChIInChI=1S/C20H23N3O3/c1-15-8-3-4-9-16(15)26-13-7-11-21-19(25)20(2)14-18(24)23-12-6-5-10-17(23)22-20/h3-6,8-10,12H,7,11,13-14H2,1-2H3,(H,21,25)
InChIKeyVJYPUAPHUUXNFP-UHFFFAOYSA-N
XLogP2.35
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide (CID 46951597) is 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is Cc1ccccc1OCCCNC(=O)C1(C)CC(=O)N2C=CC=CC2=N1.
What is the InChIKey of 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VJYPUAPHUUXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-8-3-4-9-16(15)26-13-7-11-21-19(25)20(2)14-18(24)23-12-6-5-10-17(23)22-20/h3-6,8-10,12H,7,11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide?
2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46951597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).