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

C15H15N3 — CID 58087269

IUPACN-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
SMILESCc1[nH]c2ncccc2c1CNc1ccccc1
InChIInChI=1S/C15H15N3/c1-11-14(10-17-12-6-3-2-4-7-12)13-8-5-9-16-15(13)18-11/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyDVVODMLDIIKSRC-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.48
Rot. Bonds3

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

N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline (PubChem CID 58087269) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
PubChem CID58087269
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
SMILESCc1[nH]c2ncccc2c1CNc1ccccc1
InChIInChI=1S/C15H15N3/c1-11-14(10-17-12-6-3-2-4-7-12)13-8-5-9-16-15(13)18-11/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyDVVODMLDIIKSRC-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline?
The IUPAC name of N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline (CID 58087269) is N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline?
The canonical SMILES for N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline is Cc1[nH]c2ncccc2c1CNc1ccccc1.
What is the InChIKey of N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline?
The InChIKey is DVVODMLDIIKSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-14(10-17-12-6-3-2-4-7-12)13-8-5-9-16-15(13)18-11/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline?
N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline has a molecular weight of 237.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 58087269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).