N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide

C11H16FN3O — CID 110474763

IUPACN-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ncccc1F
InChIInChI=1S/C11H16FN3O/c1-15(2)8-4-7-14-11(16)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyGODJWHPKRTVINK-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.90
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide

N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide (PubChem CID 110474763) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
PubChem CID110474763
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ncccc1F
InChIInChI=1S/C11H16FN3O/c1-15(2)8-4-7-14-11(16)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,16)
InChIKeyGODJWHPKRTVINK-UHFFFAOYSA-N
XLogP0.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765
N-[3-(dimethylamino)propyl]-2,6-difluoro-4-(8-hydroxyquinolin-6-yl)benzamide
CID 171446140
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide (CID 110474763) is N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide is CN(C)CCCNC(=O)c1ncccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is GODJWHPKRTVINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(2)8-4-7-14-11(16)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 110474763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).