2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide

C12H18FN3O — CID 62641304

IUPAC2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H18FN3O/c1-9(2)16(3)7-6-15-12(17)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
InChIKeyXRTVZQLPZJQPJZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.29
Rot. Bonds5

About 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide

2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 62641304) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID62641304
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H18FN3O/c1-9(2)16(3)7-6-15-12(17)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
InChIKeyXRTVZQLPZJQPJZ-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
2-fluoro-N-(3-methylpent-4-enyl)pyridine-4-carboxamide
CID 163636517
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide (CID 62641304) is 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide is CC(C)N(C)CCNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is XRTVZQLPZJQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(2)16(3)7-6-15-12(17)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide?
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62641304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).