6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C21H23N5O — CID 109120863

IUPAC6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)24-19-12-11-18(25-26-19)20(27)23-14-17-6-4-5-13-22-17/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZRUIVFMBUDZMAN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.84
Rot. Bonds5

About 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109120863) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109120863
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)24-19-12-11-18(25-26-19)20(27)23-14-17-6-4-5-13-22-17/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZRUIVFMBUDZMAN-UHFFFAOYSA-N
XLogP3.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109120863) is 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is CC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is ZRUIVFMBUDZMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)24-19-12-11-18(25-26-19)20(27)23-14-17-6-4-5-13-22-17/h4-13H,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.84, 5 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-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).