6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide

C16H17FN2O2 — CID 115497051

IUPAC6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOCc1ccccc1)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O2/c17-15-9-4-8-14(19-15)16(20)18-10-5-11-21-12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,18,20)
InChIKeyRZNMFLPJYLMCMB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.56
Rot. Bonds7

About 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide

6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide (PubChem CID 115497051) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
PubChem CID115497051
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOCc1ccccc1)c1cccc(F)n1
InChIInChI=1S/C16H17FN2O2/c17-15-9-4-8-14(19-15)16(20)18-10-5-11-21-12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,18,20)
InChIKeyRZNMFLPJYLMCMB-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide (CID 115497051) is 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide is O=C(NCCCOCc1ccccc1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide?
The InChIKey is RZNMFLPJYLMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-15-9-4-8-14(19-15)16(20)18-10-5-11-21-12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,18,20).
What are the key properties of 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide?
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).