3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide

C16H18FN3O — CID 125447618

IUPAC3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccncc1F)c1cccnc1
InChIInChI=1S/C16H18FN3O/c1-2-3-6-15(12-5-4-8-18-10-12)20-16(21)13-7-9-19-11-14(13)17/h4-5,7-11,15H,2-3,6H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyRXVUGSGFKJGFGO-HNNXBMFYSA-N
MW287.34 g/mol
LogP3.28
Rot. Bonds6

About 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide

3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide (PubChem CID 125447618) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
PubChem CID125447618
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
SMILESCCCC[C@H](NC(=O)c1ccncc1F)c1cccnc1
InChIInChI=1S/C16H18FN3O/c1-2-3-6-15(12-5-4-8-18-10-12)20-16(21)13-7-9-19-11-14(13)17/h4-5,7-11,15H,2-3,6H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyRXVUGSGFKJGFGO-HNNXBMFYSA-N
XLogP3.28
TPSA54.88 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
CID 91774680
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 91783750
N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide (CID 125447618) is 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide is CCCC[C@H](NC(=O)c1ccncc1F)c1cccnc1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide?
The InChIKey is RXVUGSGFKJGFGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-6-15(12-5-4-8-18-10-12)20-16(21)13-7-9-19-11-14(13)17/h4-5,7-11,15H,2-3,6H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide?
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide is sourced from PubChem (CID 125447618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).