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

C23H30N4O3 — CID 91907119

IUPAC2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C23H30N4O3/c1-2-30-21-8-4-3-7-20(21)25-22(28)12-18-6-5-11-26(15-18)19-13-23(29)27(24-14-19)16-17-9-10-17/h3-4,7-8,13-14,17-18H,2,5-6,9-12,15-16H2,1H3,(H,25,28)
InChIKeyHRFDMQPNLUJNKE-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.30
Rot. Bonds8

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

2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 91907119) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID91907119
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C23H30N4O3/c1-2-30-21-8-4-3-7-20(21)25-22(28)12-18-6-5-11-26(15-18)19-13-23(29)27(24-14-19)16-17-9-10-17/h3-4,7-8,13-14,17-18H,2,5-6,9-12,15-16H2,1H3,(H,25,28)
InChIKeyHRFDMQPNLUJNKE-UHFFFAOYSA-N
XLogP3.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.30
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-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide (CID 91907119) is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is HRFDMQPNLUJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-30-21-8-4-3-7-20(21)25-22(28)12-18-6-5-11-26(15-18)19-13-23(29)27(24-14-19)16-17-9-10-17/h3-4,7-8,13-14,17-18H,2,5-6,9-12,15-16H2,1H3,(H,25,28).
What are the key properties of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide?
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 3.30, 8 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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 91907119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).