N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide

C23H22N4O — CID 67916093

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide
SMILESCc1[nH]cnc1CN(C)C(=O)c1cn2c3c(cccc13)CCc1ccccc1-2
InChIInChI=1S/C23H22N4O/c1-15-20(25-14-24-15)13-26(2)23(28)19-12-27-21-9-4-3-6-16(21)10-11-17-7-5-8-18(19)22(17)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,25)
InChIKeyQGMNUOVEBRELDL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.03
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide (PubChem CID 67916093) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide
PubChem CID67916093
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide
SMILESCc1[nH]cnc1CN(C)C(=O)c1cn2c3c(cccc13)CCc1ccccc1-2
InChIInChI=1S/C23H22N4O/c1-15-20(25-14-24-15)13-26(2)23(28)19-12-27-21-9-4-3-6-16(21)10-11-17-7-5-8-18(19)22(17)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,25)
InChIKeyQGMNUOVEBRELDL-UHFFFAOYSA-N
XLogP4.03
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide (CID 67916093) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide is Cc1[nH]cnc1CN(C)C(=O)c1cn2c3c(cccc13)CCc1ccccc1-2.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide?
The InChIKey is QGMNUOVEBRELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-20(25-14-24-15)13-26(2)23(28)19-12-27-21-9-4-3-6-16(21)10-11-17-7-5-8-18(19)22(17)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaene-15-carboxamide is sourced from PubChem (CID 67916093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).