2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide

C19H21N7O3 — CID 58167206

IUPAC2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide
SMILESNC(=O)Cn1ccc2cc(-c3cnc(N)nc3)nc(NC3CC(CO)C3)c2c1=O
InChIInChI=1S/C19H21N7O3/c20-15(28)8-26-2-1-11-5-14(12-6-22-19(21)23-7-12)25-17(16(11)18(26)29)24-13-3-10(4-13)9-27/h1-2,5-7,10,13,27H,3-4,8-9H2,(H2,20,28)(H,24,25)(H2,21,22,23)
InChIKeyWXVBPPPJYKMRQG-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.10
Rot. Bonds6

About 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide

2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide (PubChem CID 58167206) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide
PubChem CID58167206
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide
SMILESNC(=O)Cn1ccc2cc(-c3cnc(N)nc3)nc(NC3CC(CO)C3)c2c1=O
InChIInChI=1S/C19H21N7O3/c20-15(28)8-26-2-1-11-5-14(12-6-22-19(21)23-7-12)25-17(16(11)18(26)29)24-13-3-10(4-13)9-27/h1-2,5-7,10,13,27H,3-4,8-9H2,(H2,20,28)(H,24,25)(H2,21,22,23)
InChIKeyWXVBPPPJYKMRQG-UHFFFAOYSA-N
XLogP0.10
TPSA162.04 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide?
The IUPAC name of 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide (CID 58167206) is 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide.
What is the SMILES notation for 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide?
The canonical SMILES for 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide is NC(=O)Cn1ccc2cc(-c3cnc(N)nc3)nc(NC3CC(CO)C3)c2c1=O.
What is the InChIKey of 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide?
The InChIKey is WXVBPPPJYKMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c20-15(28)8-26-2-1-11-5-14(12-6-22-19(21)23-7-12)25-17(16(11)18(26)29)24-13-3-10(4-13)9-27/h1-2,5-7,10,13,27H,3-4,8-9H2,(H2,20,28)(H,24,25)(H2,21,22,23).
What are the key properties of 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide?
2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminopyrimidin-5-yl)-8-[[3-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,7-naphthyridin-2-yl]acetamide is sourced from PubChem (CID 58167206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).