N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine

C15H15N3 — CID 141182276

IUPACN-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-16-10-11-4-2-5-12(8-11)14-9-13-6-3-7-17-15(13)18-14/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyORBPVMDUACVFBN-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.95
Rot. Bonds3

About N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine

N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine (PubChem CID 141182276) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine
PubChem CID141182276
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-16-10-11-4-2-5-12(8-11)14-9-13-6-3-7-17-15(13)18-14/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyORBPVMDUACVFBN-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine (CID 141182276) is N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine is CNCc1cccc(-c2cc3cccnc3[nH]2)c1.
What is the InChIKey of N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine?
The InChIKey is ORBPVMDUACVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-16-10-11-4-2-5-12(8-11)14-9-13-6-3-7-17-15(13)18-14/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine?
N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine has a molecular weight of 237.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine is sourced from PubChem (CID 141182276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).