6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide

C18H23N5O2 — CID 133499682

IUPAC6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESC[C@@H](O)CN1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)13-22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-15-5-3-2-4-6-15/h2-8,14,24H,9-13H2,1H3,(H,19,25)/t14-/m1/s1
InChIKeySMFARPJYFRGKIM-CQSZACIVSA-N
MW341.42 g/mol
LogP1.23
Rot. Bonds5

About 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133499682) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133499682
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESC[C@@H](O)CN1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)13-22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-15-5-3-2-4-6-15/h2-8,14,24H,9-13H2,1H3,(H,19,25)/t14-/m1/s1
InChIKeySMFARPJYFRGKIM-CQSZACIVSA-N
XLogP1.23
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313428
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313672

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133499682) is 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide is C[C@@H](O)CN1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1.
What is the InChIKey of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is SMFARPJYFRGKIM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(24)13-22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-15-5-3-2-4-6-15/h2-8,14,24H,9-13H2,1H3,(H,19,25)/t14-/m1/s1.
What are the key properties of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133499682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).