N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H22N6O — CID 118274230

IUPACN-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ncccc2-4)CC1
InChIInChI=1S/C21H22N6O/c1-22-21(28)27-10-6-13(7-11-27)18-16-12-26(2)20-15(4-3-8-24-20)14-5-9-23-19(25-18)17(14)16/h3-6,8-9H,7,10-12H2,1-2H3,(H,22,28)(H,23,25)
InChIKeyOUQZWDMWFQRIRF-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.00
Rot. Bonds1

About N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 118274230) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID118274230
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCNC(=O)N1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ncccc2-4)CC1
InChIInChI=1S/C21H22N6O/c1-22-21(28)27-10-6-13(7-11-27)18-16-12-26(2)20-15(4-3-8-24-20)14-5-9-23-19(25-18)17(14)16/h3-6,8-9H,7,10-12H2,1-2H3,(H,22,28)(H,23,25)
InChIKeyOUQZWDMWFQRIRF-UHFFFAOYSA-N
XLogP3.00
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 118274230) is N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CNC(=O)N1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ncccc2-4)CC1.
What is the InChIKey of N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OUQZWDMWFQRIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-22-21(28)27-10-6-13(7-11-27)18-16-12-26(2)20-15(4-3-8-24-20)14-5-9-23-19(25-18)17(14)16/h3-6,8-9H,7,10-12H2,1-2H3,(H,22,28)(H,23,25).
What are the key properties of N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(8-methyl-6,8,12,14-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-11-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 118274230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).