N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

C16H27N3O2 — CID 167290760

IUPACN-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCCC(CC)C(CC)NC(=O)Cn1cccc(NC)c1=O
InChIInChI=1S/C16H27N3O2/c1-5-12(6-2)13(7-3)18-15(20)11-19-10-8-9-14(17-4)16(19)21/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,18,20)
InChIKeyQTVVEZKIEAKOAO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.22
Rot. Bonds8

About N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide

N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (PubChem CID 167290760) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
PubChem CID167290760
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCCC(CC)C(CC)NC(=O)Cn1cccc(NC)c1=O
InChIInChI=1S/C16H27N3O2/c1-5-12(6-2)13(7-3)18-15(20)11-19-10-8-9-14(17-4)16(19)21/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,18,20)
InChIKeyQTVVEZKIEAKOAO-UHFFFAOYSA-N
XLogP2.22
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide (CID 167290760) is N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is CCC(CC)C(CC)NC(=O)Cn1cccc(NC)c1=O.
What is the InChIKey of N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is QTVVEZKIEAKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12(6-2)13(7-3)18-15(20)11-19-10-8-9-14(17-4)16(19)21/h8-10,12-13,17H,5-7,11H2,1-4H3,(H,18,20).
What are the key properties of N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide?
N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhexan-3-yl)-2-[3-(methylamino)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 167290760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).