2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H26N4O2S — CID 91917545

IUPAC2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1cccs1
InChIInChI=1S/C20H26N4O2S/c25-19(21-12-18-4-2-8-27-18)9-16-3-1-7-23(13-16)17-10-20(26)24(22-11-17)14-15-5-6-15/h2,4,8,10-11,15-16H,1,3,5-7,9,12-14H2,(H,21,25)
InChIKeyJHRVZBJFCMIOFL-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.64
Rot. Bonds7

About 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 91917545) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID91917545
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1cccs1
InChIInChI=1S/C20H26N4O2S/c25-19(21-12-18-4-2-8-27-18)9-16-3-1-7-23(13-16)17-10-20(26)24(22-11-17)14-15-5-6-15/h2,4,8,10-11,15-16H,1,3,5-7,9,12-14H2,(H,21,25)
InChIKeyJHRVZBJFCMIOFL-UHFFFAOYSA-N
XLogP2.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 91917545) is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NCc1cccs1.
What is the InChIKey of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JHRVZBJFCMIOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c25-19(21-12-18-4-2-8-27-18)9-16-3-1-7-23(13-16)17-10-20(26)24(22-11-17)14-15-5-6-15/h2,4,8,10-11,15-16H,1,3,5-7,9,12-14H2,(H,21,25).
What are the key properties of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 91917545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).