N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide

C22H25N5O2 — CID 109122510

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)CCc3ccncc3)nn2)cc1
InChIInChI=1S/C22H25N5O2/c1-27(16-12-18-9-13-23-14-10-18)21-8-7-20(25-26-21)22(28)24-15-11-17-3-5-19(29-2)6-4-17/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,24,28)
InChIKeyRAIFEFOCNCYUMH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (PubChem CID 109122510) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
PubChem CID109122510
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)CCc3ccncc3)nn2)cc1
InChIInChI=1S/C22H25N5O2/c1-27(16-12-18-9-13-23-14-10-18)21-8-7-20(25-26-21)22(28)24-15-11-17-3-5-19(29-2)6-4-17/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,24,28)
InChIKeyRAIFEFOCNCYUMH-UHFFFAOYSA-N
XLogP2.53
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122631
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109122580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide (CID 109122510) is N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(N(C)CCc3ccncc3)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
The InChIKey is RAIFEFOCNCYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(16-12-18-9-13-23-14-10-18)21-8-7-20(25-26-21)22(28)24-15-11-17-3-5-19(29-2)6-4-17/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).