6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide

C20H27N5O2 — CID 109111214

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nn2)CC1
InChIInChI=1S/C20H27N5O2/c1-15(2)14-21-20(26)16-8-9-19(23-22-16)25-12-10-24(11-13-25)17-6-4-5-7-18(17)27-3/h4-9,15H,10-14H2,1-3H3,(H,21,26)
InChIKeyLNBOZAVOSRNHKA-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.20
Rot. Bonds6

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 109111214) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
PubChem CID109111214
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nn2)CC1
InChIInChI=1S/C20H27N5O2/c1-15(2)14-21-20(26)16-8-9-19(23-22-16)25-12-10-24(11-13-25)17-6-4-5-7-18(17)27-3/h4-9,15H,10-14H2,1-3H3,(H,21,26)
InChIKeyLNBOZAVOSRNHKA-UHFFFAOYSA-N
XLogP2.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
CID 109123968
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043694
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
4-(2-methoxyphenyl)-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 19655220
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9249294
5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 42752990
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide (CID 109111214) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide is COc1ccccc1N1CCN(c2ccc(C(=O)NCC(C)C)nn2)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide?
The InChIKey is LNBOZAVOSRNHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)14-21-20(26)16-8-9-19(23-22-16)25-12-10-24(11-13-25)17-6-4-5-7-18(17)27-3/h4-9,15H,10-14H2,1-3H3,(H,21,26).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).