6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide

C13H13ClN4O — CID 62159582

IUPAC6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyYQJPZCONWLKTLN-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.20
Rot. Bonds3

About 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide

6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 62159582) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID62159582
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyYQJPZCONWLKTLN-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 55041899
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
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4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide (CID 62159582) is 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(N)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is YQJPZCONWLKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 62159582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).