N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide

C22H30N4O3 — CID 109123335

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C22H30N4O3/c1-4-17-7-5-6-14-26(17)21-11-9-18(24-25-21)22(27)23-13-12-16-8-10-19(28-2)20(15-16)29-3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,23,27)
InChIKeyNGZGLHRRXMPCRG-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109123335) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109123335
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C22H30N4O3/c1-4-17-7-5-6-14-26(17)21-11-9-18(24-25-21)22(27)23-13-12-16-8-10-19(28-2)20(15-16)29-3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,23,27)
InChIKeyNGZGLHRRXMPCRG-UHFFFAOYSA-N
XLogP3.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
6-(2-ethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109125855
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613
6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109125838
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116505

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109123335) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide is CCC1CCCCN1c1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is NGZGLHRRXMPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-17-7-5-6-14-26(17)21-11-9-18(24-25-21)22(27)23-13-12-16-8-10-19(28-2)20(15-16)29-3/h8-11,15,17H,4-7,12-14H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).