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

C21H25FN4O2 — CID 91907122

IUPAC2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)Nc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-17-4-1-5-18(10-17)24-20(27)9-16-3-2-8-25(13-16)19-11-21(28)26(23-12-19)14-15-6-7-15/h1,4-5,10-12,15-16H,2-3,6-9,13-14H2,(H,24,27)
InChIKeyMYISJPVCCZTNEK-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.04
Rot. Bonds6

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

2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 91907122) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide
PubChem CID91907122
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)Nc1cccc(F)c1
InChIInChI=1S/C21H25FN4O2/c22-17-4-1-5-18(10-17)24-20(27)9-16-3-2-8-25(13-16)19-11-21(28)26(23-12-19)14-15-6-7-15/h1,4-5,10-12,15-16H,2-3,6-9,13-14H2,(H,24,27)
InChIKeyMYISJPVCCZTNEK-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide (CID 91907122) is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)Nc1cccc(F)c1.
What is the InChIKey of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is MYISJPVCCZTNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-17-4-1-5-18(10-17)24-20(27)9-16-3-2-8-25(13-16)19-11-21(28)26(23-12-19)14-15-6-7-15/h1,4-5,10-12,15-16H,2-3,6-9,13-14H2,(H,24,27).
What are the key properties of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide?
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91907122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).