(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide

C17H21N5O — CID 67060652

IUPAC(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCN(c2c(C#N)c3ccccc3n2C)C1)C(N)=O
InChIInChI=1S/C17H21N5O/c1-11(16(19)23)20-12-7-8-22(10-12)17-14(9-18)13-5-3-4-6-15(13)21(17)2/h3-6,11-12,20H,7-8,10H2,1-2H3,(H2,19,23)/t11-,12-/m0/s1
InChIKeyBSGIFAYLHAXEID-RYUDHWBXSA-N
MW311.39 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide

(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide (PubChem CID 67060652) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
PubChem CID67060652
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCN(c2c(C#N)c3ccccc3n2C)C1)C(N)=O
InChIInChI=1S/C17H21N5O/c1-11(16(19)23)20-12-7-8-22(10-12)17-14(9-18)13-5-3-4-6-15(13)21(17)2/h3-6,11-12,20H,7-8,10H2,1-2H3,(H2,19,23)/t11-,12-/m0/s1
InChIKeyBSGIFAYLHAXEID-RYUDHWBXSA-N
XLogP1.09
TPSA87.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide (CID 67060652) is (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide is C[C@H](N[C@H]1CCN(c2c(C#N)c3ccccc3n2C)C1)C(N)=O.
What is the InChIKey of (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide?
The InChIKey is BSGIFAYLHAXEID-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(16(19)23)20-12-7-8-22(10-12)17-14(9-18)13-5-3-4-6-15(13)21(17)2/h3-6,11-12,20H,7-8,10H2,1-2H3,(H2,19,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide?
(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide has a molecular weight of 311.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide is sourced from PubChem (CID 67060652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).