(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide

C20H25N3O — CID 120632279

IUPAC(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-17(9-7-15)14-23-12-4-3-5-19(23)22-20(24)18-10-11-21-16(2)13-18/h3-9,12,16,18,21H,10-11,13-14H2,1-2H3/b22-19+/t16-,18-/m0/s1
InChIKeyYIFCCIUKHZIHHY-QAQWRUCCSA-N
MW323.44 g/mol
LogP2.66
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide (PubChem CID 120632279) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide
PubChem CID120632279
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C20H25N3O/c1-15-6-8-17(9-7-15)14-23-12-4-3-5-19(23)22-20(24)18-10-11-21-16(2)13-18/h3-9,12,16,18,21H,10-11,13-14H2,1-2H3/b22-19+/t16-,18-/m0/s1
InChIKeyYIFCCIUKHZIHHY-QAQWRUCCSA-N
XLogP2.66
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide (CID 120632279) is (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide is Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide?
The InChIKey is YIFCCIUKHZIHHY-QAQWRUCCSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-8-17(9-7-15)14-23-12-4-3-5-19(23)22-20(24)18-10-11-21-16(2)13-18/h3-9,12,16,18,21H,10-11,13-14H2,1-2H3/b22-19+/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]piperidine-4-carboxamide is sourced from PubChem (CID 120632279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).