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

C15H25N5O — CID 106620446

IUPAC6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCCCCN(CC1CCCN1)c1ccc(C(=O)NC)nn1
InChIInChI=1S/C15H25N5O/c1-3-4-10-20(11-12-6-5-9-17-12)14-8-7-13(18-19-14)15(21)16-2/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,16,21)
InChIKeyRYZDQZBZZBSFQM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds7

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

6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 106620446) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID106620446
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCCCCN(CC1CCCN1)c1ccc(C(=O)NC)nn1
InChIInChI=1S/C15H25N5O/c1-3-4-10-20(11-12-6-5-9-17-12)14-8-7-13(18-19-14)15(21)16-2/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,16,21)
InChIKeyRYZDQZBZZBSFQM-UHFFFAOYSA-N
XLogP1.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106621411
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106620429
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 106620244
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
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
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
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]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide (CID 106620446) is 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide is CCCCN(CC1CCCN1)c1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is RYZDQZBZZBSFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-4-10-20(11-12-6-5-9-17-12)14-8-7-13(18-19-14)15(21)16-2/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,16,21).
What are the key properties of 6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.19, 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]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 106620446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).