4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide

C13H13N3O2 — CID 114039090

IUPAC4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1c[nH]ccc1=O
InChIInChI=1S/C13H13N3O2/c17-12-4-7-15-9-11(12)13(18)16-8-3-10-1-5-14-6-2-10/h1-2,4-7,9H,3,8H2,(H,15,17)(H,16,18)
InChIKeyCKBCTPJFBQURES-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.74
Rot. Bonds4

About 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide

4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide (PubChem CID 114039090) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
PubChem CID114039090
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1c[nH]ccc1=O
InChIInChI=1S/C13H13N3O2/c17-12-4-7-15-9-11(12)13(18)16-8-3-10-1-5-14-6-2-10/h1-2,4-7,9H,3,8H2,(H,15,17)(H,16,18)
InChIKeyCKBCTPJFBQURES-UHFFFAOYSA-N
XLogP0.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337525
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide (CID 114039090) is 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ccncc1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CKBCTPJFBQURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-4-7-15-9-11(12)13(18)16-8-3-10-1-5-14-6-2-10/h1-2,4-7,9H,3,8H2,(H,15,17)(H,16,18).
What are the key properties of 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide?
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).