N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

C13H15N3O2S — CID 29049954

IUPACN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-7-19-11(9)8-15(2)13(18)10-4-5-12(17)16(3)14-10/h4-7H,8H2,1-3H3
InChIKeyMVCBVDIOCZHGLO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.42
Rot. Bonds3

About N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 29049954) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID29049954
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-7-19-11(9)8-15(2)13(18)10-4-5-12(17)16(3)14-10/h4-7H,8H2,1-3H3
InChIKeyMVCBVDIOCZHGLO-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 29049954) is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is Cc1ccsc1CN(C)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is MVCBVDIOCZHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-7-19-11(9)8-15(2)13(18)10-4-5-12(17)16(3)14-10/h4-7H,8H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 29049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).