6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile

C13H18N4O — CID 70343808

IUPAC6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(C)C(=O)CNCCNc1ccc(C#N)cn1
InChIInChI=1S/C13H18N4O/c1-10(2)12(18)9-15-5-6-16-13-4-3-11(7-14)8-17-13/h3-4,8,10,15H,5-6,9H2,1-2H3,(H,16,17)
InChIKeyJONLYZRYDGFPLU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.18
Rot. Bonds7

About 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile

6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 70343808) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
PubChem CID70343808
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(C)C(=O)CNCCNc1ccc(C#N)cn1
InChIInChI=1S/C13H18N4O/c1-10(2)12(18)9-15-5-6-16-13-4-3-11(7-14)8-17-13/h3-4,8,10,15H,5-6,9H2,1-2H3,(H,16,17)
InChIKeyJONLYZRYDGFPLU-UHFFFAOYSA-N
XLogP1.18
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282
[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
CID 67218178
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile (CID 70343808) is 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile is CC(C)C(=O)CNCCNc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is JONLYZRYDGFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)12(18)9-15-5-6-16-13-4-3-11(7-14)8-17-13/h3-4,8,10,15H,5-6,9H2,1-2H3,(H,16,17).
What are the key properties of 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 70343808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).