N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide

C17H21ClN4O — CID 109125701

IUPACN-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-10-22(3)17(23)15-8-9-16(21-20-15)19-13-7-6-12(2)14(18)11-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyKHHVALWBZJQRMU-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.05
Rot. Bonds6

About N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide

N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109125701) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109125701
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C17H21ClN4O/c1-4-5-10-22(3)17(23)15-8-9-16(21-20-15)19-13-7-6-12(2)14(18)11-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyKHHVALWBZJQRMU-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
methyl 3-[[6-[butyl(methyl)carbamoyl]pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109125728
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide (CID 109125701) is N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2ccc(C)c(Cl)c2)nn1.
What is the InChIKey of N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is KHHVALWBZJQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-5-10-22(3)17(23)15-8-9-16(21-20-15)19-13-7-6-12(2)14(18)11-13/h6-9,11H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109125701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).