1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

C17H23N3 — CID 79561238

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CC3CCC2C3)c2ncccc12
InChIInChI=1S/C17H23N3/c1-18-9-15-11-20(17-16(15)3-2-6-19-17)10-14-8-12-4-5-13(14)7-12/h2-3,6,11-14,18H,4-5,7-10H2,1H3
InChIKeyYNVGXEPPVXFWJT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (PubChem CID 79561238) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
PubChem CID79561238
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CC3CCC2C3)c2ncccc12
InChIInChI=1S/C17H23N3/c1-18-9-15-11-20(17-16(15)3-2-6-19-17)10-14-8-12-4-5-13(14)7-12/h2-3,6,11-14,18H,4-5,7-10H2,1H3
InChIKeyYNVGXEPPVXFWJT-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine
CID 79561235
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66411011
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718513
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
2,2-dimethyl-3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 79621679
1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411193
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine (CID 79561238) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is CNCc1cn(CC2CC3CCC2C3)c2ncccc12.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is YNVGXEPPVXFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-9-15-11-20(17-16(15)3-2-6-19-17)10-14-8-12-4-5-13(14)7-12/h2-3,6,11-14,18H,4-5,7-10H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79561238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).