N,N-dipyridin-2-yl-3-sulfanylpropanamide

C13H13N3OS — CID 143415756

IUPACN,N-dipyridin-2-yl-3-sulfanylpropanamide
SMILESO=C(CCS)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3OS/c17-13(7-10-18)16(11-5-1-3-8-14-11)12-6-2-4-9-15-12/h1-6,8-9,18H,7,10H2
InChIKeyDHDDJOLGBNYUFT-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.46
Rot. Bonds4

About N,N-dipyridin-2-yl-3-sulfanylpropanamide

N,N-dipyridin-2-yl-3-sulfanylpropanamide (PubChem CID 143415756) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N,N-dipyridin-2-yl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dipyridin-2-yl-3-sulfanylpropanamide
PubChem CID143415756
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN,N-dipyridin-2-yl-3-sulfanylpropanamide
SMILESO=C(CCS)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3OS/c17-13(7-10-18)16(11-5-1-3-8-14-11)12-6-2-4-9-15-12/h1-6,8-9,18H,7,10H2
InChIKeyDHDDJOLGBNYUFT-UHFFFAOYSA-N
XLogP2.46
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N-dipyridin-2-yl-3-sulfanylpropanamide 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

4-chloro-N,N-dipyridin-2-ylbutanamide
CID 141179045
5-chloro-N,N-dipyridin-2-ylpentanamide
CID 141179043
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
N,N-bis(sulfanyl)pyridin-2-amine
CID 89305053
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
1-(2-chlorophenyl)-1-pyridin-2-ylurea
CID 141493026
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
CID 60852882

Frequently Asked Questions

What is the IUPAC name of N,N-dipyridin-2-yl-3-sulfanylpropanamide?
The IUPAC name of N,N-dipyridin-2-yl-3-sulfanylpropanamide (CID 143415756) is N,N-dipyridin-2-yl-3-sulfanylpropanamide.
What is the SMILES notation for N,N-dipyridin-2-yl-3-sulfanylpropanamide?
The canonical SMILES for N,N-dipyridin-2-yl-3-sulfanylpropanamide is O=C(CCS)N(c1ccccn1)c1ccccn1.
What is the InChIKey of N,N-dipyridin-2-yl-3-sulfanylpropanamide?
The InChIKey is DHDDJOLGBNYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-13(7-10-18)16(11-5-1-3-8-14-11)12-6-2-4-9-15-12/h1-6,8-9,18H,7,10H2.
What are the key properties of N,N-dipyridin-2-yl-3-sulfanylpropanamide?
N,N-dipyridin-2-yl-3-sulfanylpropanamide has a molecular weight of 259.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipyridin-2-yl-3-sulfanylpropanamide is sourced from PubChem (CID 143415756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).