(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide

C19H24N4O2S — CID 72837122

IUPAC(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3sccc3C)C2)cn1
InChIInChI=1S/C19H24N4O2S/c1-12-5-6-26-17(12)11-22-18(24)14-7-15(9-20-8-14)19(25)23-16-4-3-13(2)21-10-16/h3-6,10,14-15,20H,7-9,11H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m1/s1
InChIKeyLETVWOYJFIPRPV-CABCVRRESA-N
MW372.49 g/mol
LogP2.24
Rot. Bonds5

About (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide

(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide (PubChem CID 72837122) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
PubChem CID72837122
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3sccc3C)C2)cn1
InChIInChI=1S/C19H24N4O2S/c1-12-5-6-26-17(12)11-22-18(24)14-7-15(9-20-8-14)19(25)23-16-4-3-13(2)21-10-16/h3-6,10,14-15,20H,7-9,11H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m1/s1
InChIKeyLETVWOYJFIPRPV-CABCVRRESA-N
XLogP2.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide with MolForge

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Related Compounds

(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
CID 72855349
N-[2-(3-methylthiophen-2-yl)ethyl]azetidine-3-carboxamide
CID 115159059
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
3-amino-N-[(3-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707047
(3S,5R)-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-(4-fluorophenyl)piperidine-3,5-dicarboxamide
CID 56855768
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-(6-ethynyl-3-pyridinyl)azetidine-3-carboxamide
CID 162374049
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide?
The IUPAC name of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide (CID 72837122) is (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide?
The canonical SMILES for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide is Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3sccc3C)C2)cn1.
What is the InChIKey of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide?
The InChIKey is LETVWOYJFIPRPV-CABCVRRESA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-5-6-26-17(12)11-22-18(24)14-7-15(9-20-8-14)19(25)23-16-4-3-13(2)21-10-16/h3-6,10,14-15,20H,7-9,11H2,1-2H3,(H,22,24)(H,23,25)/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide?
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide is sourced from PubChem (CID 72837122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).