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

C14H20N4O — CID 43650188

IUPAC2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C14H20N4O/c1-2-5-13(16)14(19)18(9-4-7-15)11-12-6-3-8-17-10-12/h3,6,8,10,13H,2,4-5,9,11,16H2,1H3
InChIKeySXMVOXGZEZBYOV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds7

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

2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 43650188) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID43650188
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C14H20N4O/c1-2-5-13(16)14(19)18(9-4-7-15)11-12-6-3-8-17-10-12/h3,6,8,10,13H,2,4-5,9,11,16H2,1H3
InChIKeySXMVOXGZEZBYOV-UHFFFAOYSA-N
XLogP1.45
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide (CID 43650188) is 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide is CCCC(N)C(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is SXMVOXGZEZBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-5-13(16)14(19)18(9-4-7-15)11-12-6-3-8-17-10-12/h3,6,8,10,13H,2,4-5,9,11,16H2,1H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide?
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 260.34 g/mol, XLogP of 1.45, 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)-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 43650188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).