N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C21H25N3O3 — CID 16677948

IUPACN-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCCNC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21
InChIInChI=1S/C21H25N3O3/c1-15-10-12-24-18(13-15)23-19(25)14-21(24,2)20(26)22-11-6-8-16-7-4-5-9-17(16)27-3/h4-5,7,9-10,12-13H,6,8,11,14H2,1-3H3,(H,22,26)
InChIKeyYWETUGAPRDUVQO-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 16677948) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID16677948
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCCNC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21
InChIInChI=1S/C21H25N3O3/c1-15-10-12-24-18(13-15)23-19(25)14-21(24,2)20(26)22-11-6-8-16-7-4-5-9-17(16)27-3/h4-5,7,9-10,12-13H,6,8,11,14H2,1-3H3,(H,22,26)
InChIKeyYWETUGAPRDUVQO-UHFFFAOYSA-N
XLogP2.61
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.61
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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Related Compounds

2-hydroxy-N-(3-methoxyphenethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458507
N-[2-(4-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572064
N-[(2-Methoxyphenyl)methyl]-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 5310426
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458496
N-(4-methoxyphenethyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010498
2-methyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 46951597
2-methyl-N-[3-(4-methylphenoxy)propyl]-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 46951598
N-[3-(2-fluorophenoxy)propyl]-2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 46977311
N-[1-(4-methoxyphenyl)ethyl]-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 90670947
2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458494
N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-(4-methoxyphenyl)acetamide
CID 16799368
N-(2-methoxybenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878719

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 16677948) is N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is COc1ccccc1CCCNC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is YWETUGAPRDUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-10-12-24-18(13-15)23-19(25)14-21(24,2)20(26)22-11-6-8-16-7-4-5-9-17(16)27-3/h4-5,7,9-10,12-13H,6,8,11,14H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 16677948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).