6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide

C22H31N5O2 — CID 109123968

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C22H31N5O2/c1-4-12-27(13-5-2)22(28)18-10-11-21(24-23-18)26-16-14-25(15-17-26)19-8-6-7-9-20(19)29-3/h6-11H,4-5,12-17H2,1-3H3
InChIKeyRPWRZEONIGDILA-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.07
Rot. Bonds8

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

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109123968) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109123968
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)nn1
InChIInChI=1S/C22H31N5O2/c1-4-12-27(13-5-2)22(28)18-10-11-21(24-23-18)26-16-14-25(15-17-26)19-8-6-7-9-20(19)29-3/h6-11H,4-5,12-17H2,1-3H3
InChIKeyRPWRZEONIGDILA-UHFFFAOYSA-N
XLogP3.07
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109116830
N,N-dipropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124196
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978792
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043694
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide (CID 109123968) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)nn1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is RPWRZEONIGDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-12-27(13-5-2)22(28)18-10-11-21(24-23-18)26-16-14-25(15-17-26)19-8-6-7-9-20(19)29-3/h6-11H,4-5,12-17H2,1-3H3.
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 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,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).