6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide

C19H16ClFN4O — CID 109119356

IUPAC6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C19H16ClFN4O/c1-12-14(20)6-4-8-16(12)23-18-10-9-17(24-25-18)19(26)22-11-13-5-2-3-7-15(13)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyMULMEJNGLQBBKZ-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.25
Rot. Bonds5

About 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide

6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109119356) has the molecular formula C19H16ClFN4O and a molecular weight of 370.81 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID109119356
Molecular FormulaC19H16ClFN4O
Molecular Weight370.81 g/mol
Exact Mass370.10
IUPAC Name6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C19H16ClFN4O/c1-12-14(20)6-4-8-16(12)23-18-10-9-17(24-25-18)19(26)22-11-13-5-2-3-7-15(13)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyMULMEJNGLQBBKZ-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide (CID 109119356) is 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide is Cc1c(Cl)cccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is MULMEJNGLQBBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-14(20)6-4-8-16(12)23-18-10-9-17(24-25-18)19(26)22-11-13-5-2-3-7-15(13)21/h2-10H,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide?
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109119356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).