N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

C22H25N5O2 — CID 109122720

IUPACN-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nn1
InChIInChI=1S/C22H25N5O2/c1-16(2)29-20-7-5-4-6-18(20)24-21-9-8-19(25-26-21)22(28)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26)
InChIKeyUBQSMSIFQBJBOA-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.72
Rot. Bonds8

About N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide

N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109122720) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109122720
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nn1
InChIInChI=1S/C22H25N5O2/c1-16(2)29-20-7-5-4-6-18(20)24-21-9-8-19(25-26-21)22(28)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26)
InChIKeyUBQSMSIFQBJBOA-UHFFFAOYSA-N
XLogP3.72
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122689
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026228
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
3-N-methyl-5-N-(2-propan-2-yloxyphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954764
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125688

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide (CID 109122720) is N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is CC(C)Oc1ccccc1Nc1ccc(C(=O)N(C)CCc2ccncc2)nn1.
What is the InChIKey of N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is UBQSMSIFQBJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)29-20-7-5-4-6-18(20)24-21-9-8-19(25-26-21)22(28)27(3)15-12-17-10-13-23-14-11-17/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26).
What are the key properties of N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide?
N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).