N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C14H18N6O — CID 121027842

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H18N6O/c21-14(16-6-5-11-9-15-10-17-11)12-3-4-13(19-18-12)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,15,17)(H,16,21)
InChIKeyHEOSQLGXSIZQMQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027842) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027842
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C14H18N6O/c21-14(16-6-5-11-9-15-10-17-11)12-3-4-13(19-18-12)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,15,17)(H,16,21)
InChIKeyHEOSQLGXSIZQMQ-UHFFFAOYSA-N
XLogP0.77
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119352616
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 122280803

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027842) is N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HEOSQLGXSIZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(16-6-5-11-9-15-10-17-11)12-3-4-13(19-18-12)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,15,17)(H,16,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).