1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide

C20H25N3O2 — CID 35737068

IUPAC1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1=O
InChIInChI=1S/C20H25N3O2/c1-22-12-9-18(13-19(22)24)20(25)21-14-16-5-7-17(8-6-16)15-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,21,25)
InChIKeyFDTTXPYDIIGOOE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.30
Rot. Bonds5

About 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 35737068) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID35737068
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1=O
InChIInChI=1S/C20H25N3O2/c1-22-12-9-18(13-19(22)24)20(25)21-14-16-5-7-17(8-6-16)15-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,21,25)
InChIKeyFDTTXPYDIIGOOE-UHFFFAOYSA-N
XLogP2.30
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide (CID 35737068) is 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is FDTTXPYDIIGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-12-9-18(13-19(22)24)20(25)21-14-16-5-7-17(8-6-16)15-23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,21,25).
What are the key properties of 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 35737068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).