N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H21N3O2 — CID 136536200

IUPACN-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(CN(C)C(=O)c2cnc3c(C)cccn3c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-13-7-8-14(2)16(10-13)12-22(4)19(24)17-11-21-18-15(3)6-5-9-23(18)20(17)25/h5-11H,12H2,1-4H3
InChIKeyWHIRWXKYWHXKPN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136536200) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136536200
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(CN(C)C(=O)c2cnc3c(C)cccn3c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-13-7-8-14(2)16(10-13)12-22(4)19(24)17-11-21-18-15(3)6-5-9-23(18)20(17)25/h5-11H,12H2,1-4H3
InChIKeyWHIRWXKYWHXKPN-UHFFFAOYSA-N
XLogP2.89
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136536200) is N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc(C)c(CN(C)C(=O)c2cnc3c(C)cccn3c2=O)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WHIRWXKYWHXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-7-8-14(2)16(10-13)12-22(4)19(24)17-11-21-18-15(3)6-5-9-23(18)20(17)25/h5-11H,12H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).