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

C13H21N5O2 — CID 106621411

IUPAC6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(CCO)CC2CCCN2)nn1
InChIInChI=1S/C13H21N5O2/c1-14-13(20)11-4-5-12(17-16-11)18(7-8-19)9-10-3-2-6-15-10/h4-5,10,15,19H,2-3,6-9H2,1H3,(H,14,20)
InChIKeyFQDMOOBMHZBVGB-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.61
Rot. Bonds6

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

6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 106621411) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID106621411
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(CCO)CC2CCCN2)nn1
InChIInChI=1S/C13H21N5O2/c1-14-13(20)11-4-5-12(17-16-11)18(7-8-19)9-10-3-2-6-15-10/h4-5,10,15,19H,2-3,6-9H2,1H3,(H,14,20)
InChIKeyFQDMOOBMHZBVGB-UHFFFAOYSA-N
XLogP-0.61
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106620429
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
N-ethyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106621257
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621130
6-[cyclopropylmethyl(2-hydroxyethyl)amino]-N-phenylpyridazine-3-carboxamide
CID 71864806
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 106620244
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide (CID 106621411) is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N(CCO)CC2CCCN2)nn1.
What is the InChIKey of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is FQDMOOBMHZBVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-14-13(20)11-4-5-12(17-16-11)18(7-8-19)9-10-3-2-6-15-10/h4-5,10,15,19H,2-3,6-9H2,1H3,(H,14,20).
What are the key properties of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide?
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 106621411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).