N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C13H16F2N2O2 — CID 114985398

IUPACN-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H16F2N2O2/c1-2-17(8-9-4-3-7-19-9)13(18)10-5-6-16-12(15)11(10)14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUSRANXRFAPPXFH-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 114985398) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID114985398
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H16F2N2O2/c1-2-17(8-9-4-3-7-19-9)13(18)10-5-6-16-12(15)11(10)14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUSRANXRFAPPXFH-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
N-ethyl-4-hydrazinyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81256372
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 114985398) is N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CCN(CC1CCCO1)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is USRANXRFAPPXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-2-17(8-9-4-3-7-19-9)13(18)10-5-6-16-12(15)11(10)14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114985398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).