4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

C20H25N7O4 — CID 55483375

IUPAC4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n(C)c1=O
InChIInChI=1S/C20H25N7O4/c1-24-18-17(19(29)25(2)20(24)30)27(13-22-18)7-3-4-16(28)23-14-5-6-15(21-12-14)26-8-10-31-11-9-26/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28)
InChIKeyARFUNGRFJKIJTE-UHFFFAOYSA-N
MW427.47 g/mol
LogP0.08
Rot. Bonds6

About 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (PubChem CID 55483375) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
PubChem CID55483375
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
SMILESCn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n(C)c1=O
InChIInChI=1S/C20H25N7O4/c1-24-18-17(19(29)25(2)20(24)30)27(13-22-18)7-3-4-16(28)23-14-5-6-15(21-12-14)26-8-10-31-11-9-26/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28)
InChIKeyARFUNGRFJKIJTE-UHFFFAOYSA-N
XLogP0.08
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide with MolForge

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Related Compounds

4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 26995966
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide
CID 86765042
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 55978201
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 18775193
N-(2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 40723559
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylbutanamide
CID 26087298
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]butanamide
CID 55342907
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)butanamide
CID 40511732
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038095
2-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide
CID 9399029

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The IUPAC name of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide (CID 55483375) is 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The canonical SMILES for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n(C)c1=O.
What is the InChIKey of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
The InChIKey is ARFUNGRFJKIJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-24-18-17(19(29)25(2)20(24)30)27(13-22-18)7-3-4-16(28)23-14-5-6-15(21-12-14)26-8-10-31-11-9-26/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28).
What are the key properties of 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide?
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide has a molecular weight of 427.47 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-morpholin-4-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 55483375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).