N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide

C12H18N4O2S — CID 51892007

IUPACN-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ncccc1C#N)S(C)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-3-16(19(2,17)18)9-5-8-15-12-11(10-13)6-4-7-14-12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,15)
InChIKeyLPZWTKDNZKPLGA-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.04
Rot. Bonds7

About N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide

N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 51892007) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID51892007
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ncccc1C#N)S(C)(=O)=O
InChIInChI=1S/C12H18N4O2S/c1-3-16(19(2,17)18)9-5-8-15-12-11(10-13)6-4-7-14-12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,15)
InChIKeyLPZWTKDNZKPLGA-UHFFFAOYSA-N
XLogP1.04
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide 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

N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 115611765
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide (CID 51892007) is N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1ncccc1C#N)S(C)(=O)=O.
What is the InChIKey of N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is LPZWTKDNZKPLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-16(19(2,17)18)9-5-8-15-12-11(10-13)6-4-7-14-12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 51892007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).