N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide

C20H25N3O2S — CID 95198085

IUPACN-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N[C@@H]3CCSC3)nc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-4-15(5-8-18)3-2-11-21-20(24)16-6-9-19(22-13-16)23-17-10-12-26-14-17/h4-9,13,17H,2-3,10-12,14H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyGRJCCJVFIRPOEM-QGZVFWFLSA-N
MW371.51 g/mol
LogP3.37
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide

N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide (PubChem CID 95198085) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide
PubChem CID95198085
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N[C@@H]3CCSC3)nc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-4-15(5-8-18)3-2-11-21-20(24)16-6-9-19(22-13-16)23-17-10-12-26-14-17/h4-9,13,17H,2-3,10-12,14H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyGRJCCJVFIRPOEM-QGZVFWFLSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide 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

6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742685
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
6-[(3R)-3-(aminomethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 95226323
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 29255180

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide (CID 95198085) is N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(N[C@@H]3CCSC3)nc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is GRJCCJVFIRPOEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-18-7-4-15(5-8-18)3-2-11-21-20(24)16-6-9-19(22-13-16)23-17-10-12-26-14-17/h4-9,13,17H,2-3,10-12,14H2,1H3,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 95198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).