6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C20H26N4O2 — CID 109115064

IUPAC6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C20H26N4O2/c1-13(2)16-8-4-6-14(3)19(16)22-18-10-9-17(23-24-18)20(25)21-12-15-7-5-11-26-15/h4,6,8-10,13,15H,5,7,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDDRMCDIKQBCAPL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.56
Rot. Bonds6

About 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109115064) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109115064
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C20H26N4O2/c1-13(2)16-8-4-6-14(3)19(16)22-18-10-9-17(23-24-18)20(25)21-12-15-7-5-11-26-15/h4,6,8-10,13,15H,5,7,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyDDRMCDIKQBCAPL-UHFFFAOYSA-N
XLogP3.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 109115064) is 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is Cc1cccc(C(C)C)c1Nc1ccc(C(=O)NCC2CCCO2)nn1.
What is the InChIKey of 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is DDRMCDIKQBCAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)16-8-4-6-14(3)19(16)22-18-10-9-17(23-24-18)20(25)21-12-15-7-5-11-26-15/h4,6,8-10,13,15H,5,7,11-12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).