2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide

C15H23FN4O — CID 61294593

IUPAC2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-4-5-17-13(16)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyZLSAPUMHCOWOMU-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.98
Rot. Bonds4

About 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide

2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 61294593) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID61294593
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C15H23FN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-4-5-17-13(16)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyZLSAPUMHCOWOMU-UHFFFAOYSA-N
XLogP0.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 63896737
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 81228576
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
CID 47068402

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide (CID 61294593) is 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide is CN1CCN(C(C)(C)CNC(=O)c2ccnc(F)c2)CC1.
What is the InChIKey of 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is ZLSAPUMHCOWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-15(2,20-8-6-19(3)7-9-20)11-18-14(21)12-4-5-17-13(16)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide?
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 61294593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).