N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide

C21H21ClN4O2 — CID 109120619

IUPACN-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)17-10-12-20(25-24-17)23-18-13-16(22)9-11-19(18)28-2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyDUETXIVUNGNCSF-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.54
Rot. Bonds7

About N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide

N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide (PubChem CID 109120619) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
PubChem CID109120619
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)17-10-12-20(25-24-17)23-18-13-16(22)9-11-19(18)28-2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyDUETXIVUNGNCSF-UHFFFAOYSA-N
XLogP4.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
6-(2,5-dimethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124457
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
6-(2,5-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126252
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide (CID 109120619) is N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1.
What is the InChIKey of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide?
The InChIKey is DUETXIVUNGNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-26(14-15-7-5-4-6-8-15)21(27)17-10-12-20(25-24-17)23-18-13-16(22)9-11-19(18)28-2/h4-13H,3,14H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide?
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 109120619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).