N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C14H21FN4O — CID 143843732

IUPACN-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCCCF)n2)CC1
InChIInChI=1S/C14H21FN4O/c1-18-8-10-19(11-9-18)13-5-2-4-12(17-13)14(20)16-7-3-6-15/h2,4-5H,3,6-11H2,1H3,(H,16,20)
InChIKeyFLUXOQZLBGZPNB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.92
Rot. Bonds5

About N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 143843732) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID143843732
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC NameN-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCCCF)n2)CC1
InChIInChI=1S/C14H21FN4O/c1-18-8-10-19(11-9-18)13-5-2-4-12(17-13)14(20)16-7-3-6-15/h2,4-5H,3,6-11H2,1H3,(H,16,20)
InChIKeyFLUXOQZLBGZPNB-UHFFFAOYSA-N
XLogP0.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 143843732) is N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2cccc(C(=O)NCCCF)n2)CC1.
What is the InChIKey of N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is FLUXOQZLBGZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-18-8-10-19(11-9-18)13-5-2-4-12(17-13)14(20)16-7-3-6-15/h2,4-5H,3,6-11H2,1H3,(H,16,20).
What are the key properties of N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 143843732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).