6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide

C14H23N5O — CID 106620429

IUPAC6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
SMILESCCCCN(CC1CCCN1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C14H23N5O/c1-2-3-9-19(10-11-5-4-8-16-11)13-7-6-12(14(15)20)17-18-13/h6-7,11,16H,2-5,8-10H2,1H3,(H2,15,20)
InChIKeyZBGRERKXBXQVEF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.93
Rot. Bonds7

About 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide

6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide (PubChem CID 106620429) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
PubChem CID106620429
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
SMILESCCCCN(CC1CCCN1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C14H23N5O/c1-2-3-9-19(10-11-5-4-8-16-11)13-7-6-12(14(15)20)17-18-13/h6-7,11,16H,2-5,8-10H2,1H3,(H2,15,20)
InChIKeyZBGRERKXBXQVEF-UHFFFAOYSA-N
XLogP0.93
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106620446
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 106620244
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106621411
2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620441
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide (CID 106620429) is 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide is CCCCN(CC1CCCN1)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The InChIKey is ZBGRERKXBXQVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-3-9-19(10-11-5-4-8-16-11)13-7-6-12(14(15)20)17-18-13/h6-7,11,16H,2-5,8-10H2,1H3,(H2,15,20).
What are the key properties of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 106620429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).