3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide

C17H20FN3O2 — CID 130376218

IUPAC3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESCCc1ccc(Nc2cnccc2C(=O)NCCCO)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-2-12-4-5-15(14(18)10-12)21-16-11-19-8-6-13(16)17(23)20-7-3-9-22/h4-6,8,10-11,21-22H,2-3,7,9H2,1H3,(H,20,23)
InChIKeyRLQTYGWDXCYVDJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.64
Rot. Bonds7

About 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide

3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 130376218) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide
PubChem CID130376218
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESCCc1ccc(Nc2cnccc2C(=O)NCCCO)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-2-12-4-5-15(14(18)10-12)21-16-11-19-8-6-13(16)17(23)20-7-3-9-22/h4-6,8,10-11,21-22H,2-3,7,9H2,1H3,(H,20,23)
InChIKeyRLQTYGWDXCYVDJ-UHFFFAOYSA-N
XLogP2.64
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
4-(2,3-dihydroxycyclohexyl)-1-[3-(4-ethyl-2-fluoroanilino)-4-pyridinyl]butan-1-one
CID 91207520
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804
3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
CID 143220470
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3-[1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyanilino]sulfanylcyclopropyl]propan-1-ol;ethane;N-(3-hydroxypropyl)-3-[(3-methylcyclobuta-1,3-dien-1-yl)amino]pyridine-4-carboxamide
CID 144977896
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide (CID 130376218) is 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide is CCc1ccc(Nc2cnccc2C(=O)NCCCO)c(F)c1.
What is the InChIKey of 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is RLQTYGWDXCYVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-12-4-5-15(14(18)10-12)21-16-11-19-8-6-13(16)17(23)20-7-3-9-22/h4-6,8,10-11,21-22H,2-3,7,9H2,1H3,(H,20,23).
What are the key properties of 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide?
3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 130376218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).