1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H14Cl2N4O — CID 106321074

IUPAC1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H14Cl2N4O/c1-11(10(18)14-2)3-4-17(6-11)7-5-8(12)15-16-9(7)13/h5H,3-4,6H2,1-2H3,(H,14,18)
InChIKeySBCDGARZXFIKMO-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.75
Rot. Bonds2

About 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321074) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321074
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C11H14Cl2N4O/c1-11(10(18)14-2)3-4-17(6-11)7-5-8(12)15-16-9(7)13/h5H,3-4,6H2,1-2H3,(H,14,18)
InChIKeySBCDGARZXFIKMO-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,6-Dichloro-4-pyridazinyl)pivalamide
CID 124193469
N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide
CID 174610331
1-(3,6-Dichloropyridazin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 81763445
3,6-dichloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridazin-4-amine
CID 81764059
3,6-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-4-amine
CID 81764089
4-[(3,6-Dichloropyridazin-4-yl)amino]butanamide
CID 81764104
2-[(3,6-Dichloropyridazin-4-yl)amino]propanamide
CID 81764193
N-[2-[(3,6-dichloropyridazin-4-yl)amino]ethyl]acetamide
CID 81764220
3-[(3,6-Dichloropyridazin-4-yl)amino]propanamide
CID 81764221
2-[(3,6-dichloropyridazin-4-yl)amino]-N-ethylacetamide
CID 81764246
2-[(3,6-dichloropyridazin-4-yl)amino]-N-methylacetamide
CID 81764260
2-[(3,6-dichloropyridazin-4-yl)amino]-N-propylacetamide
CID 81764261

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321074) is 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is SBCDGARZXFIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-11(10(18)14-2)3-4-17(6-11)7-5-8(12)15-16-9(7)13/h5H,3-4,6H2,1-2H3,(H,14,18).
What are the key properties of 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).