N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide

C18H22N2O2 — CID 110384100

IUPACN-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C18H22N2O2/c21-16-8-7-13-11-14(18(22)19-15-5-1-2-6-15)10-12-4-3-9-20(16)17(12)13/h10-11,15H,1-9H2,(H,19,22)
InChIKeyMYVPCOIFGKQIMF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds2

About N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide

N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide (PubChem CID 110384100) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
PubChem CID110384100
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
SMILESO=C(NC1CCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C18H22N2O2/c21-16-8-7-13-11-14(18(22)19-15-5-1-2-6-15)10-12-4-3-9-20(16)17(12)13/h10-11,15H,1-9H2,(H,19,22)
InChIKeyMYVPCOIFGKQIMF-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
CID 110384162
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
7-(azepane-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384168
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-cyclooctyl-3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]propanamide
CID 20939677
7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384107
N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
N-(4-acetamidophenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823321
7-(4-ethylpiperazine-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384113
7-(2-sulfanylethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993171

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The IUPAC name of N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide (CID 110384100) is N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The canonical SMILES for N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide is O=C(NC1CCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The InChIKey is MYVPCOIFGKQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-16-8-7-13-11-14(18(22)19-15-5-1-2-6-15)10-12-4-3-9-20(16)17(12)13/h10-11,15H,1-9H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide is sourced from PubChem (CID 110384100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).