1-ethyl-2H-pyridine-5-carboxamide

C8H12N2O — CID 19964256

IUPAC1-ethyl-2H-pyridine-5-carboxamide
SMILESCCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C8H12N2O/c1-2-10-5-3-4-7(6-10)8(9)11/h3-4,6H,2,5H2,1H3,(H2,9,11)
InChIKeyPVRPSMJOWQTTOS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.25
Rot. Bonds2

About 1-ethyl-2H-pyridine-5-carboxamide

1-ethyl-2H-pyridine-5-carboxamide (PubChem CID 19964256) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2H-pyridine-5-carboxamide
PubChem CID19964256
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-ethyl-2H-pyridine-5-carboxamide
SMILESCCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C8H12N2O/c1-2-10-5-3-4-7(6-10)8(9)11/h3-4,6H,2,5H2,1H3,(H2,9,11)
InChIKeyPVRPSMJOWQTTOS-UHFFFAOYSA-N
XLogP0.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-2H-pyridine-5-carboxamide (CID 19964256) is 1-ethyl-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-2H-pyridine-5-carboxamide is CCN1C=C(C(N)=O)C=CC1.
What is the InChIKey of 1-ethyl-2H-pyridine-5-carboxamide?
The InChIKey is PVRPSMJOWQTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-5-3-4-7(6-10)8(9)11/h3-4,6H,2,5H2,1H3,(H2,9,11).
What are the key properties of 1-ethyl-2H-pyridine-5-carboxamide?
1-ethyl-2H-pyridine-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyridine-5-carboxamide is sourced from PubChem (CID 19964256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).