3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide

C15H16FN3O — CID 64950472

IUPAC3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-10(17-2)11-3-5-12(6-4-11)19-15(20)13-7-8-18-9-14(13)16/h3-10,17H,1-2H3,(H,19,20)
InChIKeyQRTOAIIGOXEKKT-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.75
Rot. Bonds4

About 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 64950472) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
PubChem CID64950472
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-10(17-2)11-3-5-12(6-4-11)19-15(20)13-7-8-18-9-14(13)16/h3-10,17H,1-2H3,(H,19,20)
InChIKeyQRTOAIIGOXEKKT-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-[4-(pyridine-4-carbonylamino)phenyl]ethyl]pyridine-4-carboxamide
CID 119032821
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950255
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide (CID 64950472) is 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide is CNC(C)c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is QRTOAIIGOXEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(17-2)11-3-5-12(6-4-11)19-15(20)13-7-8-18-9-14(13)16/h3-10,17H,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 64950472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).