6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide

C17H20N4O2 — CID 109111674

IUPAC6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C17H20N4O2/c1-4-11(2)18-17(23)15-8-9-16(21-20-15)19-14-7-5-6-13(10-14)12(3)22/h5-11H,4H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRJEPIMRPSNLVQG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.95
Rot. Bonds6

About 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide

6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide (PubChem CID 109111674) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
PubChem CID109111674
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C17H20N4O2/c1-4-11(2)18-17(23)15-8-9-16(21-20-15)19-14-7-5-6-13(10-14)12(3)22/h5-11H,4H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyRJEPIMRPSNLVQG-UHFFFAOYSA-N
XLogP2.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide (CID 109111674) is 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide?
The InChIKey is RJEPIMRPSNLVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-11(2)18-17(23)15-8-9-16(21-20-15)19-14-7-5-6-13(10-14)12(3)22/h5-11H,4H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide?
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).