N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide

C19H26N4O2S — CID 113021072

IUPACN-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C19H26N4O2S/c1-2-14-26(24,25)22-17-8-11-19(20-15-17)21-16-6-9-18(10-7-16)23-12-4-3-5-13-23/h6-11,15,22H,2-5,12-14H2,1H3,(H,20,21)
InChIKeyMBTOFILXEVGLDL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.97
Rot. Bonds7

About N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113021072) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113021072
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C19H26N4O2S/c1-2-14-26(24,25)22-17-8-11-19(20-15-17)21-16-6-9-18(10-7-16)23-12-4-3-5-13-23/h6-11,15,22H,2-5,12-14H2,1H3,(H,20,21)
InChIKeyMBTOFILXEVGLDL-UHFFFAOYSA-N
XLogP3.97
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide 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-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide (CID 113021072) is N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1.
What is the InChIKey of N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is MBTOFILXEVGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-14-26(24,25)22-17-8-11-19(20-15-17)21-16-6-9-18(10-7-16)23-12-4-3-5-13-23/h6-11,15,22H,2-5,12-14H2,1H3,(H,20,21).
What are the key properties of N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).