3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide

C17H15FN4O — CID 71991073

IUPAC3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNc1ccc2ccccc2n1)c1ccncc1F
InChIInChI=1S/C17H15FN4O/c18-14-11-19-8-7-13(14)17(23)21-10-9-20-16-6-5-12-3-1-2-4-15(12)22-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23)
InChIKeyJAKWQHWXMVBAHV-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.61
Rot. Bonds5

About 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide

3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 71991073) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID71991073
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNc1ccc2ccccc2n1)c1ccncc1F
InChIInChI=1S/C17H15FN4O/c18-14-11-19-8-7-13(14)17(23)21-10-9-20-16-6-5-12-3-1-2-4-15(12)22-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23)
InChIKeyJAKWQHWXMVBAHV-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
CID 122315229
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide (CID 71991073) is 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide is O=C(NCCNc1ccc2ccccc2n1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is JAKWQHWXMVBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-11-19-8-7-13(14)17(23)21-10-9-20-16-6-5-12-3-1-2-4-15(12)22-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 71991073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).