6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide

C14H15ClN4O — CID 62978753

IUPAC6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(N)nn1
InChIInChI=1S/C14H15ClN4O/c1-9(10-4-3-5-11(15)8-10)19(2)14(20)12-6-7-13(16)18-17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyOLPUCMDGGLCZNM-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.55
Rot. Bonds3

About 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide

6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide (PubChem CID 62978753) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
PubChem CID62978753
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(N)nn1
InChIInChI=1S/C14H15ClN4O/c1-9(10-4-3-5-11(15)8-10)19(2)14(20)12-6-7-13(16)18-17-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyOLPUCMDGGLCZNM-UHFFFAOYSA-N
XLogP2.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62980702
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide (CID 62978753) is 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(N)nn1.
What is the InChIKey of 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is OLPUCMDGGLCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(10-4-3-5-11(15)8-10)19(2)14(20)12-6-7-13(16)18-17-12/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide?
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 62978753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).