(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C19H18N4O2 — CID 95042307

IUPAC(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-15(25-18-8-3-2-7-17(18)12-21)19(24)23(11-5-9-20)14-16-6-4-10-22-13-16/h2-4,6-8,10,13,15H,5,11,14H2,1H3/t15-/m0/s1
InChIKeyBLJPJGPLQBAWKB-HNNXBMFYSA-N
MW334.38 g/mol
LogP2.66
Rot. Bonds7

About (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 95042307) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID95042307
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1ccccc1C#N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C19H18N4O2/c1-15(25-18-8-3-2-7-17(18)12-21)19(24)23(11-5-9-20)14-16-6-4-10-22-13-16/h2-4,6-8,10,13,15H,5,11,14H2,1H3/t15-/m0/s1
InChIKeyBLJPJGPLQBAWKB-HNNXBMFYSA-N
XLogP2.66
TPSA90.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62851804
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
2-(aminomethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 65225689
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483315
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 95042307) is (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide is C[C@H](Oc1ccccc1C#N)C(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is BLJPJGPLQBAWKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-15(25-18-8-3-2-7-17(18)12-21)19(24)23(11-5-9-20)14-16-6-4-10-22-13-16/h2-4,6-8,10,13,15H,5,11,14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 334.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 95042307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).