N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine

C16H17N3 — CID 67422882

IUPACN-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cc2ccnc(NCc3ccccc3)c2n1C
InChIInChI=1S/C16H17N3/c1-12-10-14-8-9-17-16(15(14)19(12)2)18-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNMBDZUJOTWYEAV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine

N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 67422882) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID67422882
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cc2ccnc(NCc3ccccc3)c2n1C
InChIInChI=1S/C16H17N3/c1-12-10-14-8-9-17-16(15(14)19(12)2)18-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNMBDZUJOTWYEAV-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine (CID 67422882) is N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine is Cc1cc2ccnc(NCc3ccccc3)c2n1C.
What is the InChIKey of N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is NMBDZUJOTWYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-10-14-8-9-17-16(15(14)19(12)2)18-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine?
N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 67422882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).