N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

C19H17N9 — CID 135998096

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCN(CCc1ccccn1)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2
InChIInChI=1S/C19H17N9/c1-27(11-9-13-6-4-5-10-20-13)19-21-12-14-17(23-19)22-15-7-2-3-8-16(15)28-18(14)24-25-26-28/h2-8,10,12H,9,11H2,1H3,(H,21,22,23)
InChIKeyXEGQPQMFELFLQP-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (PubChem CID 135998096) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
PubChem CID135998096
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCN(CCc1ccccn1)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2
InChIInChI=1S/C19H17N9/c1-27(11-9-13-6-4-5-10-20-13)19-21-12-14-17(23-19)22-15-7-2-3-8-16(15)28-18(14)24-25-26-28/h2-8,10,12H,9,11H2,1H3,(H,21,22,23)
InChIKeyXEGQPQMFELFLQP-UHFFFAOYSA-N
XLogP2.25
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine with MolForge

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Related Compounds

N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998106
N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998069
5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
CID 92567476
N-[(3-fluorophenyl)methyl]-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998054
N-[(2,5-difluorophenyl)methyl]-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998104
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenyl]pyridin-2-amine
CID 58180183
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
N-methyl-N-(2-pyridin-2-ylethyl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 166601640

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (CID 135998096) is N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is CN(CCc1ccccn1)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The InChIKey is XEGQPQMFELFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-27(11-9-13-6-4-5-10-20-13)19-21-12-14-17(23-19)22-15-7-2-3-8-16(15)28-18(14)24-25-26-28/h2-8,10,12H,9,11H2,1H3,(H,21,22,23).
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine has a molecular weight of 371.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is sourced from PubChem (CID 135998096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).