6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide

C21H22N4O — CID 109125118

IUPAC6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-14-20(24-23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyJWFPZFWIYDDMDZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds6

About 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide

6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109125118) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109125118
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-14-20(24-23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyJWFPZFWIYDDMDZ-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125140
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-6-(3-chloroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112846465
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide (CID 109125118) is 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is JWFPZFWIYDDMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-14-20(24-23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,22,24).
What are the key properties of 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide?
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109125118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).