N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide

C20H25N3O3 — CID 3012799

IUPACN-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CNC(C)=O)c1
InChIInChI=1S/C20H25N3O3/c1-6-16-12(2)22-20(26)18(23(4)5)17(16)19(25)15-9-7-8-14(10-15)11-21-13(3)24/h7-10H,6,11H2,1-5H3,(H,21,24)(H,22,26)
InChIKeyHNIINHYMVXSHHT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds6

About N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide

N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide (PubChem CID 3012799) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide
PubChem CID3012799
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CNC(C)=O)c1
InChIInChI=1S/C20H25N3O3/c1-6-16-12(2)22-20(26)18(23(4)5)17(16)19(25)15-9-7-8-14(10-15)11-21-13(3)24/h7-10H,6,11H2,1-5H3,(H,21,24)(H,22,26)
InChIKeyHNIINHYMVXSHHT-UHFFFAOYSA-N
XLogP2.18
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide (CID 3012799) is N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide?
The InChIKey is HNIINHYMVXSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-6-16-12(2)22-20(26)18(23(4)5)17(16)19(25)15-9-7-8-14(10-15)11-21-13(3)24/h7-10H,6,11H2,1-5H3,(H,21,24)(H,22,26).
What are the key properties of N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide?
N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 3012799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).