N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C19H16N4 — CID 155519937

IUPACN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESc1ccc(CNc2ccc(-c3c[nH]c4ncccc34)cn2)cc1
InChIInChI=1S/C19H16N4/c1-2-5-14(6-3-1)11-21-18-9-8-15(12-22-18)17-13-23-19-16(17)7-4-10-20-19/h1-10,12-13H,11H2,(H,20,23)(H,21,22)
InChIKeyDTRKEOKFLWSGTB-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.24
Rot. Bonds4

About N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 155519937) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID155519937
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESc1ccc(CNc2ccc(-c3c[nH]c4ncccc34)cn2)cc1
InChIInChI=1S/C19H16N4/c1-2-5-14(6-3-1)11-21-18-9-8-15(12-22-18)17-13-23-19-16(17)7-4-10-20-19/h1-10,12-13H,11H2,(H,20,23)(H,21,22)
InChIKeyDTRKEOKFLWSGTB-UHFFFAOYSA-N
XLogP4.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 155519937) is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is c1ccc(CNc2ccc(-c3c[nH]c4ncccc34)cn2)cc1.
What is the InChIKey of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is DTRKEOKFLWSGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-5-14(6-3-1)11-21-18-9-8-15(12-22-18)17-13-23-19-16(17)7-4-10-20-19/h1-10,12-13H,11H2,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 155519937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).