1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C11H15ClN4O — CID 104513621

IUPAC1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O/c1-13-11(17)9-3-2-6-16(9)7-8-4-5-10(12)15-14-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,17)
InChIKeyORATXGZSFHGQRU-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.84
Rot. Bonds3

About 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 104513621) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID104513621
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O/c1-13-11(17)9-3-2-6-16(9)7-8-4-5-10(12)15-14-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,17)
InChIKeyORATXGZSFHGQRU-UHFFFAOYSA-N
XLogP0.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986265
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 103056191
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 63578585
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 104513621) is 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ORATXGZSFHGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-13-11(17)9-3-2-6-16(9)7-8-4-5-10(12)15-14-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,17).
What are the key properties of 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 104513621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).