N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide

C25H24N4O4 — CID 2547125

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
InChIInChI=1S/C25H24N4O4/c1-33-14-13-28-22(26)21(23(30)27-25(28)32)29(16-17-7-3-2-4-8-17)24(31)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15H,13-14,16,26H2,1H3,(H,27,30,32)
InChIKeyKDWRNWLWKSCUQA-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.77
Rot. Bonds7

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide (PubChem CID 2547125) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide
PubChem CID2547125
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
InChIInChI=1S/C25H24N4O4/c1-33-14-13-28-22(26)21(23(30)27-25(28)32)29(16-17-7-3-2-4-8-17)24(31)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15H,13-14,16,26H2,1H3,(H,27,30,32)
InChIKeyKDWRNWLWKSCUQA-UHFFFAOYSA-N
XLogP2.77
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(Aminomethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962331
5-Ethyl-6-(naphthalene-1-carbonyl)-1-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione
CID 16077330
1-(Ethoxymethyl)-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
CID 16077332
1-Benzyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 9978999
1-Benzyl-1-ethyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10026200
N-(2-(2-(benzyl(methyl)amino)ethoxy)ethylcarbamothioyl)-2-naphthamide
CID 10047824
1-Benzyl-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10342371
1-(3,5-Dimethyl-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10456592
3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-methyl-N-(2-naphthalen-2-yl-2-oxo-ethyl)-propionamide
CID 44337980
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 4791722
N-(2-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-2-oxoethyl)-3,4-dimethylbenzamide
CID 8034429
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]naphthalene-2-carboxamide
CID 23625785

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide (CID 2547125) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide?
The InChIKey is KDWRNWLWKSCUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-33-14-13-28-22(26)21(23(30)27-25(28)32)29(16-17-7-3-2-4-8-17)24(31)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15H,13-14,16,26H2,1H3,(H,27,30,32).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide is sourced from PubChem (CID 2547125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).