N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C17H26N4O2 — CID 71709367

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H26N4O2/c1-2-20-9-5-7-14(20)11-18-16(22)12-21-17(23)10-13-6-3-4-8-15(13)19-21/h10,14H,2-9,11-12H2,1H3,(H,18,22)
InChIKeyFSUXGFFXCZUHGG-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.72
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 71709367) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID71709367
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C17H26N4O2/c1-2-20-9-5-7-14(20)11-18-16(22)12-21-17(23)10-13-6-3-4-8-15(13)19-21/h10,14H,2-9,11-12H2,1H3,(H,18,22)
InChIKeyFSUXGFFXCZUHGG-UHFFFAOYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 71709367) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is CCN1CCCC1CNC(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is FSUXGFFXCZUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-20-9-5-7-14(20)11-18-16(22)12-21-17(23)10-13-6-3-4-8-15(13)19-21/h10,14H,2-9,11-12H2,1H3,(H,18,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 71709367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).