6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile

C20H15N5 — CID 66887486

IUPAC6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25)
InChIKeyCDIKGEZAKNILOY-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.11
Rot. Bonds4

About 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile

6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile (PubChem CID 66887486) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile
PubChem CID66887486
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25)
InChIKeyCDIKGEZAKNILOY-UHFFFAOYSA-N
XLogP4.11
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile (CID 66887486) is 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1.
What is the InChIKey of 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile?
The InChIKey is CDIKGEZAKNILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25).
What are the key properties of 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile?
6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 66887486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).