2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide

C15H22N4O — CID 43185872

IUPAC2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C15H22N4O/c1-3-12(2)14(17)15(20)19(9-5-7-16)11-13-6-4-8-18-10-13/h4,6,8,10,12,14H,3,5,9,11,17H2,1-2H3
InChIKeyPFVKJIBBPWLCHY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds7

About 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide

2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 43185872) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID43185872
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)C(N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C15H22N4O/c1-3-12(2)14(17)15(20)19(9-5-7-16)11-13-6-4-8-18-10-13/h4,6,8,10,12,14H,3,5,9,11,17H2,1-2H3
InChIKeyPFVKJIBBPWLCHY-UHFFFAOYSA-N
XLogP1.70
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
2-(aminomethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 65225689
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62851804
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 95042307
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide (CID 43185872) is 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide is CCC(C)C(N)C(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is PFVKJIBBPWLCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-12(2)14(17)15(20)19(9-5-7-16)11-13-6-4-8-18-10-13/h4,6,8,10,12,14H,3,5,9,11,17H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 274.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 43185872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).