N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C14H14FN3O — CID 114037745

IUPACN-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1cccnc1F
InChIInChI=1S/C14H14FN3O/c1-2-18(10-11-6-3-4-8-16-11)14(19)12-7-5-9-17-13(12)15/h3-9H,2,10H2,1H3
InChIKeyORRTVCGNXGIWPR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 114037745) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID114037745
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1cccnc1F
InChIInChI=1S/C14H14FN3O/c1-2-18(10-11-6-3-4-8-16-11)14(19)12-7-5-9-17-13(12)15/h3-9H,2,10H2,1H3
InChIKeyORRTVCGNXGIWPR-UHFFFAOYSA-N
XLogP2.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.28
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

N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 114037745) is N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is CCN(Cc1ccccn1)C(=O)c1cccnc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ORRTVCGNXGIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-18(10-11-6-3-4-8-16-11)14(19)12-7-5-9-17-13(12)15/h3-9H,2,10H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114037745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).