N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide

C17H25N3O2 — CID 110223058

IUPACN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide
SMILESCC1CCc2nn(CCNC(=O)C3CCCC3)c(=O)cc2C1
InChIInChI=1S/C17H25N3O2/c1-12-6-7-15-14(10-12)11-16(21)20(19-15)9-8-18-17(22)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeyFDDJZFUWNNXZDU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide

N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide (PubChem CID 110223058) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide
PubChem CID110223058
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide
SMILESCC1CCc2nn(CCNC(=O)C3CCCC3)c(=O)cc2C1
InChIInChI=1S/C17H25N3O2/c1-12-6-7-15-14(10-12)11-16(21)20(19-15)9-8-18-17(22)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeyFDDJZFUWNNXZDU-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide (CID 110223058) is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide is CC1CCc2nn(CCNC(=O)C3CCCC3)c(=O)cc2C1.
What is the InChIKey of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is FDDJZFUWNNXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-6-7-15-14(10-12)11-16(21)20(19-15)9-8-18-17(22)13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22).
What are the key properties of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide?
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 110223058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).