(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide

C11H10N4O — CID 78225350

IUPAC(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide
SMILESN#C[C@H](Cc1ccc2[nH]ncc2c1)C(N)=O
InChIInChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1
InChIKeyLSZLZUAHIJIGOY-QMMMGPOBSA-N
MW214.23 g/mol
LogP0.73
Rot. Bonds3

About (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide

(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide (PubChem CID 78225350) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide
PubChem CID78225350
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide
SMILESN#C[C@H](Cc1ccc2[nH]ncc2c1)C(N)=O
InChIInChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1
InChIKeyLSZLZUAHIJIGOY-QMMMGPOBSA-N
XLogP0.73
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide?
The IUPAC name of (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide (CID 78225350) is (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide is N#C[C@H](Cc1ccc2[nH]ncc2c1)C(N)=O.
What is the InChIKey of (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide?
The InChIKey is LSZLZUAHIJIGOY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide?
(2S)-2-cyano-3-(1H-indazol-5-yl)propanamide has a molecular weight of 214.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 78225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).