6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide

C13H18N4O3 — CID 47189479

IUPAC6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H18N4O3/c18-11-6-5-10(15-16-11)13(20)14-7-9-17-8-3-1-2-4-12(17)19/h5-6H,1-4,7-9H2,(H,14,20)(H,16,18)
InChIKeyHNABLYQDUQKKAH-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.10
Rot. Bonds4

About 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 47189479) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide
PubChem CID47189479
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H18N4O3/c18-11-6-5-10(15-16-11)13(20)14-7-9-17-8-3-1-2-4-12(17)19/h5-6H,1-4,7-9H2,(H,14,20)(H,16,18)
InChIKeyHNABLYQDUQKKAH-UHFFFAOYSA-N
XLogP-0.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide (CID 47189479) is 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide is O=C(NCCN1CCCCCC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is HNABLYQDUQKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-11-6-5-10(15-16-11)13(20)14-7-9-17-8-3-1-2-4-12(17)19/h5-6H,1-4,7-9H2,(H,14,20)(H,16,18).
What are the key properties of 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).