(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide

C16H26N4O2 — CID 97210160

IUPAC(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C16H26N4O2/c1-4-14(16(22)18-12-8-6-5-7-9-12)20-15(21)10-13(11-17-20)19(2)3/h10-12,14H,4-9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyIXFBXKUQOHHROD-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.71
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide

(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide (PubChem CID 97210160) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
PubChem CID97210160
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C16H26N4O2/c1-4-14(16(22)18-12-8-6-5-7-9-12)20-15(21)10-13(11-17-20)19(2)3/h10-12,14H,4-9H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyIXFBXKUQOHHROD-AWEZNQCLSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide (CID 97210160) is (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide is CC[C@@H](C(=O)NC1CCCCC1)n1ncc(N(C)C)cc1=O.
What is the InChIKey of (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is IXFBXKUQOHHROD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-14(16(22)18-12-8-6-5-7-9-12)20-15(21)10-13(11-17-20)19(2)3/h10-12,14H,4-9H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide?
(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 97210160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).