N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide

C18H21N3OS — CID 97316438

IUPACN-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CCS1
InChIInChI=1S/C18H21N3OS/c1-14-13-21(9-10-23-14)16-7-8-19-17(11-16)18(22)20-12-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeySRDZNSNRLURWSG-AWEZNQCLSA-N
MW327.45 g/mol
LogP2.95
Rot. Bonds4

About N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide

N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide (PubChem CID 97316438) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
PubChem CID97316438
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CCS1
InChIInChI=1S/C18H21N3OS/c1-14-13-21(9-10-23-14)16-7-8-19-17(11-16)18(22)20-12-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeySRDZNSNRLURWSG-AWEZNQCLSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-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

N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
CID 133379384
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide (CID 97316438) is N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide is C[C@H]1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CCS1.
What is the InChIKey of N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide?
The InChIKey is SRDZNSNRLURWSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-14-13-21(9-10-23-14)16-7-8-19-17(11-16)18(22)20-12-15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide?
N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97316438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).