N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide

C18H16ClN5O — CID 113047878

IUPACN-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3cccnc3)nn2)c(Cl)c1
InChIInChI=1S/C18H16ClN5O/c1-11-8-12(2)17(14(19)9-11)21-15-5-6-16(24-23-15)22-18(25)13-4-3-7-20-10-13/h3-10H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHICJAUNFOFKLAF-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.14
Rot. Bonds4

About N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113047878) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113047878
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)c3cccnc3)nn2)c(Cl)c1
InChIInChI=1S/C18H16ClN5O/c1-11-8-12(2)17(14(19)9-11)21-15-5-6-16(24-23-15)22-18(25)13-4-3-7-20-10-13/h3-10H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyHICJAUNFOFKLAF-UHFFFAOYSA-N
XLogP4.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
CID 110859454
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113047878) is N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide is Cc1cc(C)c(Nc2ccc(NC(=O)c3cccnc3)nn2)c(Cl)c1.
What is the InChIKey of N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is HICJAUNFOFKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-11-8-12(2)17(14(19)9-11)21-15-5-6-16(24-23-15)22-18(25)13-4-3-7-20-10-13/h3-10H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113047878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).