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

C16H18FN3O2 — CID 109167115

IUPAC2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O2/c1-22-9-3-7-19-16(21)12-6-8-18-15(10-12)20-14-5-2-4-13(17)11-14/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFDIKTPNBXHSUCT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.73
Rot. Bonds7

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

2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167115) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167115
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(F)c2)c1
InChIInChI=1S/C16H18FN3O2/c1-22-9-3-7-19-16(21)12-6-8-18-15(10-12)20-14-5-2-4-13(17)11-14/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFDIKTPNBXHSUCT-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.73
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

N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide
CID 50783694
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167115) is 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is FDIKTPNBXHSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-9-3-7-19-16(21)12-6-8-18-15(10-12)20-14-5-2-4-13(17)11-14/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).