N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide

C15H22N4O — CID 62851804

IUPACN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCCNCC(C)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C15H22N4O/c1-3-17-10-13(2)15(20)19(9-5-7-16)12-14-6-4-8-18-11-14/h4,6,8,11,13,17H,3,5,9-10,12H2,1-2H3
InChIKeyGZZHUOHPTQONSW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.57
Rot. Bonds8

About N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide

N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 62851804) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID62851804
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCCNCC(C)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C15H22N4O/c1-3-17-10-13(2)15(20)19(9-5-7-16)12-14-6-4-8-18-11-14/h4,6,8,11,13,17H,3,5,9-10,12H2,1-2H3
InChIKeyGZZHUOHPTQONSW-UHFFFAOYSA-N
XLogP1.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
2-(aminomethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 65225689
(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 95042307
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115667786
4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62213274
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
1-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095546

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide (CID 62851804) is N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide is CCNCC(C)C(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GZZHUOHPTQONSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-17-10-13(2)15(20)19(9-5-7-16)12-14-6-4-8-18-11-14/h4,6,8,11,13,17H,3,5,9-10,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide?
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 274.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 62851804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).