N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide

C13H18N4O — CID 110269436

IUPACN-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC1)C1CCN(c2cccnn2)C1
InChIInChI=1S/C13H18N4O/c18-13(15-11-3-1-4-11)10-6-8-17(9-10)12-5-2-7-14-16-12/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,15,18)
InChIKeyTYWVYHRLMMLDNS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds3

About N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide

N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide (PubChem CID 110269436) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
PubChem CID110269436
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC1)C1CCN(c2cccnn2)C1
InChIInChI=1S/C13H18N4O/c18-13(15-11-3-1-4-11)10-6-8-17(9-10)12-5-2-7-14-16-12/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,15,18)
InChIKeyTYWVYHRLMMLDNS-UHFFFAOYSA-N
XLogP0.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 125013785
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 124859320
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
(3R)-N-[2-(dimethylamino)ethyl]-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 95841054
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]methanol
CID 130626069
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide (CID 110269436) is N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide is O=C(NC1CCC1)C1CCN(c2cccnn2)C1.
What is the InChIKey of N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is TYWVYHRLMMLDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(15-11-3-1-4-11)10-6-8-17(9-10)12-5-2-7-14-16-12/h2,5,7,10-11H,1,3-4,6,8-9H2,(H,15,18).
What are the key properties of N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110269436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).