N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide

C13H19N3O — CID 139933685

IUPACN-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)N1C=CC=CC1
InChIInChI=1S/C13H19N3O/c1-11(2)10-12(13(17)15-7-6-14)16-8-4-3-5-9-16/h3-5,8,11-12H,7,9-10H2,1-2H3,(H,15,17)
InChIKeyKIYJJOMHDANQFR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds5

About N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide

N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide (PubChem CID 139933685) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide
PubChem CID139933685
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)N1C=CC=CC1
InChIInChI=1S/C13H19N3O/c1-11(2)10-12(13(17)15-7-6-14)16-8-4-3-5-9-16/h3-5,8,11-12H,7,9-10H2,1-2H3,(H,15,17)
InChIKeyKIYJJOMHDANQFR-UHFFFAOYSA-N
XLogP1.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide (CID 139933685) is N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide is CC(C)CC(C(=O)NCC#N)N1C=CC=CC1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide?
The InChIKey is KIYJJOMHDANQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(2)10-12(13(17)15-7-6-14)16-8-4-3-5-9-16/h3-5,8,11-12H,7,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide?
N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide has a molecular weight of 233.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide is sourced from PubChem (CID 139933685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).