N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide

C13H21N5O — CID 114697062

IUPACN,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2(C)CCNCC2)nn1
InChIInChI=1S/C13H21N5O/c1-13(6-8-14-9-7-13)15-11-5-4-10(16-17-11)12(19)18(2)3/h4-5,14H,6-9H2,1-3H3,(H,15,17)
InChIKeyWJXDGANXFBXXFF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.73
Rot. Bonds3

About N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide

N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide (PubChem CID 114697062) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide
PubChem CID114697062
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2(C)CCNCC2)nn1
InChIInChI=1S/C13H21N5O/c1-13(6-8-14-9-7-13)15-11-5-4-10(16-17-11)12(19)18(2)3/h4-5,14H,6-9H2,1-3H3,(H,15,17)
InChIKeyWJXDGANXFBXXFF-UHFFFAOYSA-N
XLogP0.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide (CID 114697062) is N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide is CN(C)C(=O)c1ccc(NC2(C)CCNCC2)nn1.
What is the InChIKey of N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
The InChIKey is WJXDGANXFBXXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(6-8-14-9-7-13)15-11-5-4-10(16-17-11)12(19)18(2)3/h4-5,14H,6-9H2,1-3H3,(H,15,17).
What are the key properties of N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide?
N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(4-methylpiperidin-4-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 114697062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).