N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine

C15H19N3S — CID 112585179

IUPACN-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCNC(CC)c1ccc(Sc2ccncc2)cn1
InChIInChI=1S/C15H19N3S/c1-3-14(17-4-2)15-6-5-13(11-18-15)19-12-7-9-16-10-8-12/h5-11,14,17H,3-4H2,1-2H3
InChIKeyDTFDVMPWLPQRHK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.69
Rot. Bonds6

About N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine

N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine (PubChem CID 112585179) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
PubChem CID112585179
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
SMILESCCNC(CC)c1ccc(Sc2ccncc2)cn1
InChIInChI=1S/C15H19N3S/c1-3-14(17-4-2)15-6-5-13(11-18-15)19-12-7-9-16-10-8-12/h5-11,14,17H,3-4H2,1-2H3
InChIKeyDTFDVMPWLPQRHK-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine 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-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 136985232
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
1-[5-[(3-chloro-2-pyridinyl)sulfanyl]-2-pyridinyl]-N-propylpropan-1-amine
CID 115940347
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
N-ethyl-1-[5-(4-nitrophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83111048
N-methyl-1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 112585020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine (CID 112585179) is N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine is CCNC(CC)c1ccc(Sc2ccncc2)cn1.
What is the InChIKey of N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine?
The InChIKey is DTFDVMPWLPQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-14(17-4-2)15-6-5-13(11-18-15)19-12-7-9-16-10-8-12/h5-11,14,17H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine?
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 112585179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).