N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C18H28N4O2 — CID 126806538

IUPACN-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCC(CO)C1CCCCC1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H28N4O2/c23-13-15(14-6-2-1-3-7-14)12-19-18(24)16-8-9-17(21-20-16)22-10-4-5-11-22/h8-9,14-15,23H,1-7,10-13H2,(H,19,24)
InChIKeyHERFLPPXUWEUIS-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.00
Rot. Bonds6

About N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 126806538) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID126806538
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCC(CO)C1CCCCC1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C18H28N4O2/c23-13-15(14-6-2-1-3-7-14)12-19-18(24)16-8-9-17(21-20-16)22-10-4-5-11-22/h8-9,14-15,23H,1-7,10-13H2,(H,19,24)
InChIKeyHERFLPPXUWEUIS-UHFFFAOYSA-N
XLogP2.00
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119529366
N-[(2S)-2-cyclohexyl-3-hydroxypropyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125144193
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-[1-hydroxy-3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]propan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 167823637
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119352616

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 126806538) is N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(NCC(CO)C1CCCCC1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HERFLPPXUWEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-13-15(14-6-2-1-3-7-14)12-19-18(24)16-8-9-17(21-20-16)22-10-4-5-11-22/h8-9,14-15,23H,1-7,10-13H2,(H,19,24).
What are the key properties of N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 126806538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).