N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide

C13H19FN4O — CID 63896737

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C13H19FN4O/c1-17-5-6-18(2)11(9-17)8-16-13(19)10-3-4-15-12(14)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyMCILMKFLLGNVNI-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.20
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide (PubChem CID 63896737) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
PubChem CID63896737
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C13H19FN4O/c1-17-5-6-18(2)11(9-17)8-16-13(19)10-3-4-15-12(14)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyMCILMKFLLGNVNI-UHFFFAOYSA-N
XLogP0.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.20
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-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5-difluorobenzamide
CID 63884569

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide (CID 63896737) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide is CN1CCN(C)C(CNC(=O)c2ccnc(F)c2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is MCILMKFLLGNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-17-5-6-18(2)11(9-17)8-16-13(19)10-3-4-15-12(14)7-10/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 63896737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).