N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

C12H17N3O2 — CID 47478040

IUPACN-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)12(17)10-6-7-11(16)14-13-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyPEUYKMVGLGKZTP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds3

About N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47478040) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47478040
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)12(17)10-6-7-11(16)14-13-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyPEUYKMVGLGKZTP-UHFFFAOYSA-N
XLogP1.03
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide (CID 47478040) is N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is CN(CC1CCCC1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PEUYKMVGLGKZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(8-9-4-2-3-5-9)12(17)10-6-7-11(16)14-13-10/h6-7,9H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide?
N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47478040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).