6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

C16H15N3O2 — CID 125491202

IUPAC6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)[nH]c1=O
InChIInChI=1S/C16H15N3O2/c1-2-9-18-15(20)13-7-8-14(19-16(13)21)12-5-3-11(10-17)4-6-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUUXXWOISVKSUNJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.05
Rot. Bonds4

About 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide

6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 125491202) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID125491202
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(C#N)cc2)[nH]c1=O
InChIInChI=1S/C16H15N3O2/c1-2-9-18-15(20)13-7-8-14(19-16(13)21)12-5-3-11(10-17)4-6-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUUXXWOISVKSUNJ-UHFFFAOYSA-N
XLogP2.05
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 66497759
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497426
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 125491202) is 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCNC(=O)c1ccc(-c2ccc(C#N)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is UUXXWOISVKSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-9-18-15(20)13-7-8-14(19-16(13)21)12-5-3-11(10-17)4-6-12/h3-8H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).