4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide

C14H20N4O2 — CID 103154249

IUPAC4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
SMILESCOC(CN)CC(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C14H20N4O2/c1-20-13(9-16)8-14(19)18(7-3-5-15)11-12-4-2-6-17-10-12/h2,4,6,10,13H,3,7-9,11,16H2,1H3
InChIKeyJQUWQKBBIPZJQJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.69
Rot. Bonds8

About 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide

4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 103154249) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
PubChem CID103154249
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
SMILESCOC(CN)CC(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C14H20N4O2/c1-20-13(9-16)8-14(19)18(7-3-5-15)11-12-4-2-6-17-10-12/h2,4,6,10,13H,3,7-9,11,16H2,1H3
InChIKeyJQUWQKBBIPZJQJ-UHFFFAOYSA-N
XLogP0.69
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 65225689
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
2-(1-aminocyclobutyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 79852125
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62851804
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide (CID 103154249) is 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide is COC(CN)CC(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is JQUWQKBBIPZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-13(9-16)8-14(19)18(7-3-5-15)11-12-4-2-6-17-10-12/h2,4,6,10,13H,3,7-9,11,16H2,1H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide?
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 276.34 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 103154249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).