2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C13H19FN4O — CID 107362791

IUPAC2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cccnc2F)CC1
InChIInChI=1S/C13H19FN4O/c1-17-7-9-18(10-8-17)6-5-16-13(19)11-3-2-4-15-12(11)14/h2-4H,5-10H2,1H3,(H,16,19)
InChIKeyAMTXAVMJFBZHTP-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.20
Rot. Bonds4

About 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 107362791) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID107362791
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cccnc2F)CC1
InChIInChI=1S/C13H19FN4O/c1-17-7-9-18(10-8-17)6-5-16-13(19)11-3-2-4-15-12(11)14/h2-4H,5-10H2,1H3,(H,16,19)
InChIKeyAMTXAVMJFBZHTP-UHFFFAOYSA-N
XLogP0.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
CID 103299367
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
N-[2-[4-[2-(dimethylamino)pyridine-4-carbonyl]piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 75462777

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 107362791) is 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is CN1CCN(CCNC(=O)c2cccnc2F)CC1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is AMTXAVMJFBZHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-17-7-9-18(10-8-17)6-5-16-13(19)11-3-2-4-15-12(11)14/h2-4H,5-10H2,1H3,(H,16,19).
What are the key properties of 2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.20, 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-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 107362791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).