N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H15N3 — CID 58086745

IUPACN-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1ccc(CNc2ccc3cc[nH]c3n2)cc1
InChIInChI=1S/C15H15N3/c1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyDDGLOTZUAUGATH-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.48
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58086745) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58086745
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1ccc(CNc2ccc3cc[nH]c3n2)cc1
InChIInChI=1S/C15H15N3/c1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyDDGLOTZUAUGATH-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-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 58086745) is N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1ccc(CNc2ccc3cc[nH]c3n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is DDGLOTZUAUGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-2-4-12(5-3-11)10-17-14-7-6-13-8-9-16-15(13)18-14/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine 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-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58086745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).