4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide

C17H20FN3O — CID 109217523

IUPAC4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C17H20FN3O/c1-2-3-6-10-20-17(22)16-12-13(9-11-19-16)21-15-8-5-4-7-14(15)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPDIPZQWFUNSWFK-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.88
Rot. Bonds7

About 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide

4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109217523) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109217523
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C17H20FN3O/c1-2-3-6-10-20-17(22)16-12-13(9-11-19-16)21-15-8-5-4-7-14(15)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPDIPZQWFUNSWFK-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide (CID 109217523) is 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(Nc2ccccc2F)ccn1.
What is the InChIKey of 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is PDIPZQWFUNSWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-2-3-6-10-20-17(22)16-12-13(9-11-19-16)21-15-8-5-4-7-14(15)18/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide?
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109217523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).