2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide

C19H26N4O2S — CID 46961373

IUPAC2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)NCC3CCCCC3)n2)s1
InChIInChI=1S/C19H26N4O2S/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24)
InChIKeyMUXQTEXOZGVWAF-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.12
Rot. Bonds5

About 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide

2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide (PubChem CID 46961373) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
PubChem CID46961373
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)NCC3CCCCC3)n2)s1
InChIInChI=1S/C19H26N4O2S/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24)
InChIKeyMUXQTEXOZGVWAF-UHFFFAOYSA-N
XLogP3.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide (CID 46961373) is 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide is Cc1ccc(-c2cc(N)c(=O)n(C(C)C(=O)NCC3CCCCC3)n2)s1.
What is the InChIKey of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is MUXQTEXOZGVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 46961373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).