N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide

C19H26N4O3 — CID 136662091

IUPACN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C19H26N4O3/c24-16-10-15(21-19(22-16)12-5-6-12)13-8-14(9-13)20-17(25)11-23-7-3-1-2-4-18(23)26/h10,12-14H,1-9,11H2,(H,20,25)(H,21,22,24)
InChIKeyMLWVZTBOTBVVKY-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.41
Rot. Bonds5

About N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide

N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 136662091) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID136662091
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C19H26N4O3/c24-16-10-15(21-19(22-16)12-5-6-12)13-8-14(9-13)20-17(25)11-23-7-3-1-2-4-18(23)26/h10,12-14H,1-9,11H2,(H,20,25)(H,21,22,24)
InChIKeyMLWVZTBOTBVVKY-UHFFFAOYSA-N
XLogP1.41
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide (CID 136662091) is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is MLWVZTBOTBVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-16-10-15(21-19(22-16)12-5-6-12)13-8-14(9-13)20-17(25)11-23-7-3-1-2-4-18(23)26/h10,12-14H,1-9,11H2,(H,20,25)(H,21,22,24).
What are the key properties of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 136662091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).