N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide

C16H21N3O3 — CID 154865826

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1c[nH]c(=O)c(C(=O)NCC(C)c2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O3/c1-5-12-6-13(16(21)18-8-12)15(20)17-7-9(2)14-10(3)19-22-11(14)4/h6,8-9H,5,7H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyKTYXOVZJDDRVPI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 154865826) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID154865826
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1c[nH]c(=O)c(C(=O)NCC(C)c2c(C)noc2C)c1
InChIInChI=1S/C16H21N3O3/c1-5-12-6-13(16(21)18-8-12)15(20)17-7-9(2)14-10(3)19-22-11(14)4/h6,8-9H,5,7H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyKTYXOVZJDDRVPI-UHFFFAOYSA-N
XLogP2.08
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide (CID 154865826) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide is CCc1c[nH]c(=O)c(C(=O)NCC(C)c2c(C)noc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KTYXOVZJDDRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-12-6-13(16(21)18-8-12)15(20)17-7-9(2)14-10(3)19-22-11(14)4/h6,8-9H,5,7H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154865826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).