2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C16H18FN3O — CID 38915865

IUPAC2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(12-6-8-13(17)9-7-12)19-16(21)14-5-4-10-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyQMMDTYIRHYRFNM-LLVKDONJSA-N
MW287.34 g/mol
LogP2.78
Rot. Bonds4

About 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 38915865) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID38915865
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(12-6-8-13(17)9-7-12)19-16(21)14-5-4-10-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m1/s1
InChIKeyQMMDTYIRHYRFNM-LLVKDONJSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 60551277
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 38915865) is 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1N(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is QMMDTYIRHYRFNM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(12-6-8-13(17)9-7-12)19-16(21)14-5-4-10-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 38915865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).