2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile

C11H12N4 — CID 174302210

IUPAC2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
SMILESCNC(C#N)Cc1c[nH]c2ncccc12
InChIInChI=1S/C11H12N4/c1-13-9(6-12)5-8-7-15-11-10(8)3-2-4-14-11/h2-4,7,9,13H,5H2,1H3,(H,14,15)
InChIKeyOFEHRFRPXVYJIP-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.22
Rot. Bonds3

About 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile

2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile (PubChem CID 174302210) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
PubChem CID174302210
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
SMILESCNC(C#N)Cc1c[nH]c2ncccc12
InChIInChI=1S/C11H12N4/c1-13-9(6-12)5-8-7-15-11-10(8)3-2-4-14-11/h2-4,7,9,13H,5H2,1H3,(H,14,15)
InChIKeyOFEHRFRPXVYJIP-UHFFFAOYSA-N
XLogP1.22
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-yn-2-ol
CID 175979529
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine
CID 174571126
propan-2-yl (2R)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135396257
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]butanenitrile
CID 134224906

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile?
The IUPAC name of 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile (CID 174302210) is 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile is CNC(C#N)Cc1c[nH]c2ncccc12.
What is the InChIKey of 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile?
The InChIKey is OFEHRFRPXVYJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-13-9(6-12)5-8-7-15-11-10(8)3-2-4-14-11/h2-4,7,9,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile?
2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile has a molecular weight of 200.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 174302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).