N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide

C19H22N6O2 — CID 95802865

IUPACN-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NC1CCCC1
InChIInChI=1S/C19H22N6O2/c26-16(21-13-6-1-2-7-13)12-24-19(27)25-15-9-4-3-8-14(15)17-20-10-5-11-23(17)18(25)22-24/h3-4,8-9,13H,1-2,5-7,10-12H2,(H,21,26)
InChIKeyBKOKFVYQKRSXNW-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.06
Rot. Bonds3

About N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide

N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide (PubChem CID 95802865) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide
PubChem CID95802865
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NC1CCCC1
InChIInChI=1S/C19H22N6O2/c26-16(21-13-6-1-2-7-13)12-24-19(27)25-15-9-4-3-8-14(15)17-20-10-5-11-23(17)18(25)22-24/h3-4,8-9,13H,1-2,5-7,10-12H2,(H,21,26)
InChIKeyBKOKFVYQKRSXNW-UHFFFAOYSA-N
XLogP1.06
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide with MolForge

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Related Compounds

2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)-N-(2-phenylethyl)acetamide
CID 46960108
N-cyclopropyl-2-(5-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-6-yl)acetamide
CID 16675590
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
CID 46960097
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
7-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
CID 110214353
2-[7-[(2-chlorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclohexylacetamide
CID 166604038
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 171146210
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(8-chloro-5-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-6-yl)-N-cyclopropylacetamide
CID 171688051
N-cycloheptyl-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 44777353

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide (CID 95802865) is N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide is O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide?
The InChIKey is BKOKFVYQKRSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-16(21-13-6-1-2-7-13)12-24-19(27)25-15-9-4-3-8-14(15)17-20-10-5-11-23(17)18(25)22-24/h3-4,8-9,13H,1-2,5-7,10-12H2,(H,21,26).
What are the key properties of N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide?
N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide is sourced from PubChem (CID 95802865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).