N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide

C16H20N4O — CID 109111624

IUPACN-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(C)c2)nn1
InChIInChI=1S/C16H20N4O/c1-4-12(3)17-16(21)14-8-9-15(20-19-14)18-13-7-5-6-11(2)10-13/h5-10,12H,4H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyXINUMQLNQBUGTD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide

N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide (PubChem CID 109111624) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
PubChem CID109111624
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(C)c2)nn1
InChIInChI=1S/C16H20N4O/c1-4-12(3)17-16(21)14-8-9-15(20-19-14)18-13-7-5-6-11(2)10-13/h5-10,12H,4H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyXINUMQLNQBUGTD-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide (CID 109111624) is N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cccc(C)c2)nn1.
What is the InChIKey of N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide?
The InChIKey is XINUMQLNQBUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-12(3)17-16(21)14-8-9-15(20-19-14)18-13-7-5-6-11(2)10-13/h5-10,12H,4H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide?
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).