2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide

C16H18FN3O — CID 107358352

IUPAC2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cccnc1F)c1ccccc1
InChIInChI=1S/C16H18FN3O/c1-20(13-7-3-2-4-8-13)12-6-11-19-16(21)14-9-5-10-18-15(14)17/h2-5,7-10H,6,11-12H2,1H3,(H,19,21)
InChIKeyYWBZMBGNWUJETP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.48
Rot. Bonds6

About 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide

2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide (PubChem CID 107358352) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
PubChem CID107358352
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cccnc1F)c1ccccc1
InChIInChI=1S/C16H18FN3O/c1-20(13-7-3-2-4-8-13)12-6-11-19-16(21)14-9-5-10-18-15(14)17/h2-5,7-10H,6,11-12H2,1H3,(H,19,21)
InChIKeyYWBZMBGNWUJETP-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.48
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

N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide (CID 107358352) is 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide is CN(CCCNC(=O)c1cccnc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The InChIKey is YWBZMBGNWUJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(13-7-3-2-4-8-13)12-6-11-19-16(21)14-9-5-10-18-15(14)17/h2-5,7-10H,6,11-12H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).