N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

C19H23N5O3 — CID 97211482

IUPACN-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C19H23N5O3/c1-3-23(13-10-15(25)22-18(13)26)19(27)12-9-11(2)20-17-16(12)21-14-7-5-4-6-8-24(14)17/h9,13H,3-8,10H2,1-2H3,(H,22,25,26)/t13-/m1/s1
InChIKeyAWQRBZIBZBNYGJ-CYBMUJFWSA-N
MW369.43 g/mol
LogP1.34
Rot. Bonds3

About N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (PubChem CID 97211482) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
PubChem CID97211482
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@@H]1CC(=O)NC1=O
InChIInChI=1S/C19H23N5O3/c1-3-23(13-10-15(25)22-18(13)26)19(27)12-9-11(2)20-17-16(12)21-14-7-5-4-6-8-24(14)17/h9,13H,3-8,10H2,1-2H3,(H,22,25,26)/t13-/m1/s1
InChIKeyAWQRBZIBZBNYGJ-CYBMUJFWSA-N
XLogP1.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The IUPAC name of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (CID 97211482) is N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.
What is the SMILES notation for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The canonical SMILES for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@@H]1CC(=O)NC1=O.
What is the InChIKey of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The InChIKey is AWQRBZIBZBNYGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-23(13-10-15(25)22-18(13)26)19(27)12-9-11(2)20-17-16(12)21-14-7-5-4-6-8-24(14)17/h9,13H,3-8,10H2,1-2H3,(H,22,25,26)/t13-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 97211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).