N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H19N3O2S — CID 46998829

IUPACN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccsc1CN(CC(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-18(9-13-11(3)6-7-21-13)15(20)12-4-5-14(19)17-16-12/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyFPWOINQBWQEYEG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.44
Rot. Bonds5

About N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46998829) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46998829
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1ccsc1CN(CC(C)C)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-18(9-13-11(3)6-7-21-13)15(20)12-4-5-14(19)17-16-12/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyFPWOINQBWQEYEG-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 46998829) is N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1ccsc1CN(CC(C)C)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FPWOINQBWQEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)8-18(9-13-11(3)6-7-21-13)15(20)12-4-5-14(19)17-16-12/h4-7,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).