N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H24N4O — CID 122135933

IUPACN-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESC=CCC(C)(C)CNC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H24N4O/c1-4-9-16(2,3)12-17-15(21)13-7-8-14(19-18-13)20-10-5-6-11-20/h4,7-8H,1,5-6,9-12H2,2-3H3,(H,17,21)
InChIKeyCHCAALMDCDWLCR-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.41
Rot. Bonds6

About N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 122135933) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID122135933
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESC=CCC(C)(C)CNC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H24N4O/c1-4-9-16(2,3)12-17-15(21)13-7-8-14(19-18-13)20-10-5-6-11-20/h4,7-8H,1,5-6,9-12H2,2-3H3,(H,17,21)
InChIKeyCHCAALMDCDWLCR-UHFFFAOYSA-N
XLogP2.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119352616
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
CID 136552822

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 122135933) is N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is C=CCC(C)(C)CNC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is CHCAALMDCDWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-9-16(2,3)12-17-15(21)13-7-8-14(19-18-13)20-10-5-6-11-20/h4,7-8H,1,5-6,9-12H2,2-3H3,(H,17,21).
What are the key properties of N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 122135933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).