1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide

C23H29N5O3 — CID 42405987

IUPAC1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(CCc2ccccc2)n(CCN(C)C)c(C)cc1=O
InChIInChI=1S/C23H29N5O3/c1-16-14-21(29)22(23(30)24-15-19-17(2)25-31-26-19)20(28(16)13-12-27(3)4)11-10-18-8-6-5-7-9-18/h5-9,14H,10-13,15H2,1-4H3,(H,24,30)
InChIKeyYMAFFOZWDXZMMX-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.12
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide

1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 42405987) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID42405987
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1nonc1CNC(=O)c1c(CCc2ccccc2)n(CCN(C)C)c(C)cc1=O
InChIInChI=1S/C23H29N5O3/c1-16-14-21(29)22(23(30)24-15-19-17(2)25-31-26-19)20(28(16)13-12-27(3)4)11-10-18-8-6-5-7-9-18/h5-9,14H,10-13,15H2,1-4H3,(H,24,30)
InChIKeyYMAFFOZWDXZMMX-UHFFFAOYSA-N
XLogP2.12
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide (CID 42405987) is 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide is Cc1nonc1CNC(=O)c1c(CCc2ccccc2)n(CCN(C)C)c(C)cc1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YMAFFOZWDXZMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16-14-21(29)22(23(30)24-15-19-17(2)25-31-26-19)20(28(16)13-12-27(3)4)11-10-18-8-6-5-7-9-18/h5-9,14H,10-13,15H2,1-4H3,(H,24,30).
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-oxo-2-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42405987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).