6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide

C16H26N2O2 — CID 125490211

IUPAC6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(=O)NC(CC)CC)c(=O)[nH]c1CC
InChIInChI=1S/C16H26N2O2/c1-5-9-11-10-13(16(20)18-14(11)8-4)15(19)17-12(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDGCVDBGJUGVZHU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.81
Rot. Bonds7

About 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide

6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide (PubChem CID 125490211) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
PubChem CID125490211
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(=O)NC(CC)CC)c(=O)[nH]c1CC
InChIInChI=1S/C16H26N2O2/c1-5-9-11-10-13(16(20)18-14(11)8-4)15(19)17-12(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDGCVDBGJUGVZHU-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide (CID 125490211) is 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide is CCCc1cc(C(=O)NC(CC)CC)c(=O)[nH]c1CC.
What is the InChIKey of 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide?
The InChIKey is DGCVDBGJUGVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-11-10-13(16(20)18-14(11)8-4)15(19)17-12(6-2)7-3/h10,12H,5-9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide?
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).