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

C15H17ClN4O — CID 109111648

IUPACN-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-10(2)17-15(21)13-7-8-14(20-19-13)18-12-6-4-5-11(16)9-12/h4-10H,3H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVPJXZMUPDVCFBQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.40
Rot. Bonds5

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

N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide (PubChem CID 109111648) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
PubChem CID109111648
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-10(2)17-15(21)13-7-8-14(20-19-13)18-12-6-4-5-11(16)9-12/h4-10H,3H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVPJXZMUPDVCFBQ-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
methyl 3-[[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109111681
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
CID 109111692
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide (CID 109111648) is N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2)nn1.
What is the InChIKey of N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide?
The InChIKey is VPJXZMUPDVCFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-10(2)17-15(21)13-7-8-14(20-19-13)18-12-6-4-5-11(16)9-12/h4-10H,3H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide?
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.40, 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-chloroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).