5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

C24H30N6O3 — CID 170981022

IUPAC5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3(C)C)ccc2c1=O
InChIInChI=1S/C24H30N6O3/c1-5-30-22(32)18-8-6-16(12-20(18)27-23(30)33)14-29-11-10-28(15-24(29,2)3)17-7-9-19(26-13-17)21(31)25-4/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,25,31)(H,27,33)
InChIKeyFDOHCJPZHXGIHB-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.57
Rot. Bonds5

About 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170981022) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID170981022
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3(C)C)ccc2c1=O
InChIInChI=1S/C24H30N6O3/c1-5-30-22(32)18-8-6-16(12-20(18)27-23(30)33)14-29-11-10-28(15-24(29,2)3)17-7-9-19(26-13-17)21(31)25-4/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,25,31)(H,27,33)
InChIKeyFDOHCJPZHXGIHB-UHFFFAOYSA-N
XLogP1.57
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[(2S)-4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981529
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 168900152
5-[(1S,4S)-5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 170981512
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170981744
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)-methylamino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981554
5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981145
5-[4-[(3-cyclobutyl-2-oxo-4-sulfanylidene-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981564
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 168900088
5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981491
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,6-bis(trideuteriomethyl)pyridine-2-carboxamide
CID 168957380
N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide
CID 171444880
5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 171445036

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 170981022) is 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is CCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3(C)C)ccc2c1=O.
What is the InChIKey of 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FDOHCJPZHXGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-5-30-22(32)18-8-6-16(12-20(18)27-23(30)33)14-29-11-10-28(15-24(29,2)3)17-7-9-19(26-13-17)21(31)25-4/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,25,31)(H,27,33).
What are the key properties of 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170981022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).