4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

C15H16FN3O2 — CID 109205806

IUPAC4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cccc(F)c2)ccn1
InChIInChI=1S/C15H16FN3O2/c1-21-8-7-18-15(20)14-10-13(5-6-17-14)19-12-4-2-3-11(16)9-12/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyTXMFAXWYMPXYNS-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.34
Rot. Bonds6

About 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109205806) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109205806
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cccc(F)c2)ccn1
InChIInChI=1S/C15H16FN3O2/c1-21-8-7-18-15(20)14-10-13(5-6-17-14)19-12-4-2-3-11(16)9-12/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyTXMFAXWYMPXYNS-UHFFFAOYSA-N
XLogP2.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109205837
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109205806) is 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(Nc2cccc(F)c2)ccn1.
What is the InChIKey of 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is TXMFAXWYMPXYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-8-7-18-15(20)14-10-13(5-6-17-14)19-12-4-2-3-11(16)9-12/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).