6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

C19H27N5O — CID 109115423

IUPAC6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H27N5O/c1-19(2,3)14-6-8-15(9-7-14)21-17-11-10-16(22-23-17)18(25)20-12-13-24(4)5/h6-11H,12-13H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyGMDGIORKYHGZAH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.81
Rot. Bonds6

About 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide

6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 109115423) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
PubChem CID109115423
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C19H27N5O/c1-19(2,3)14-6-8-15(9-7-14)21-17-11-10-16(22-23-17)18(25)20-12-13-24(4)5/h6-11H,12-13H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyGMDGIORKYHGZAH-UHFFFAOYSA-N
XLogP2.81
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[2-(dimethylamino)ethyl]-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109115410
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
6-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111165
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide (CID 109115423) is 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is CN(C)CCNC(=O)c1ccc(Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is GMDGIORKYHGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(2,3)14-6-8-15(9-7-14)21-17-11-10-16(22-23-17)18(25)20-12-13-24(4)5/h6-11H,12-13H2,1-5H3,(H,20,25)(H,21,23).
What are the key properties of 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide?
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109115423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).