N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide

C22H21N3O2 — CID 10713486

IUPACN-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide
SMILESCc1cc2c3c(ccc(C(=O)NCCN(C)C)c3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C22H21N3O2/c1-13-12-18-14-6-4-5-7-15(14)21(26)16-8-9-17(20(24-13)19(16)18)22(27)23-10-11-25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)
InChIKeyNPVONFQNLYEXLY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide

N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide (PubChem CID 10713486) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide
PubChem CID10713486
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide
SMILESCc1cc2c3c(ccc(C(=O)NCCN(C)C)c3n1)C(=O)c1ccccc1-2
InChIInChI=1S/C22H21N3O2/c1-13-12-18-14-6-4-5-7-15(14)21(26)16-8-9-17(20(24-13)19(16)18)22(27)23-10-11-25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)
InChIKeyNPVONFQNLYEXLY-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide (CID 10713486) is N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide is Cc1cc2c3c(ccc(C(=O)NCCN(C)C)c3n1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide?
The InChIKey is NPVONFQNLYEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-12-18-14-6-4-5-7-15(14)21(26)16-8-9-17(20(24-13)19(16)18)22(27)23-10-11-25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide?
N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-carboxamide is sourced from PubChem (CID 10713486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).