(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide

C19H26N4O3 — CID 51496418

IUPAC(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N(C)C3CCCCC3)n2)o1
InChIInChI=1S/C19H26N4O3/c1-12-9-10-17(26-12)16-11-15(20)19(25)23(21-16)13(2)18(24)22(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,20H2,1-3H3/t13-/m0/s1
InChIKeyRYCJYAGVXPHYDO-ZDUSSCGKSA-N
MW358.44 g/mol
LogP2.75
Rot. Bonds4

About (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide

(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide (PubChem CID 51496418) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide
PubChem CID51496418
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide
SMILESCc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N(C)C3CCCCC3)n2)o1
InChIInChI=1S/C19H26N4O3/c1-12-9-10-17(26-12)16-11-15(20)19(25)23(21-16)13(2)18(24)22(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,20H2,1-3H3/t13-/m0/s1
InChIKeyRYCJYAGVXPHYDO-ZDUSSCGKSA-N
XLogP2.75
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide (CID 51496418) is (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide is Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N(C)C3CCCCC3)n2)o1.
What is the InChIKey of (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
The InChIKey is RYCJYAGVXPHYDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-9-10-17(26-12)16-11-15(20)19(25)23(21-16)13(2)18(24)22(3)14-7-5-4-6-8-14/h9-11,13-14H,4-8,20H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide?
(2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide has a molecular weight of 358.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 51496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).