N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H22N4O2 — CID 3240310

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1
InChIInChI=1S/C20H22N4O2/c1-4-23(5-2)15-9-10-17(14(3)12-15)22-19(25)16-13-21-18-8-6-7-11-24(18)20(16)26/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyADUMUHBWZYVOIC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3240310) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3240310
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1
InChIInChI=1S/C20H22N4O2/c1-4-23(5-2)15-9-10-17(14(3)12-15)22-19(25)16-13-21-18-8-6-7-11-24(18)20(16)26/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyADUMUHBWZYVOIC-UHFFFAOYSA-N
XLogP3.10
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3240310) is N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ADUMUHBWZYVOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-23(5-2)15-9-10-17(14(3)12-15)22-19(25)16-13-21-18-8-6-7-11-24(18)20(16)26/h6-13H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3240310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).