N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide

C21H28FN3O — CID 110301478

IUPACN-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESCCN(CC)C(C)CNC(=O)C(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C21H28FN3O/c1-4-25(5-2)16(3)15-24-21(26)20(14-19-8-6-7-13-23-19)17-9-11-18(22)12-10-17/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyGFXJQPGONMQNKE-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.39
Rot. Bonds9

About N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide

N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide (PubChem CID 110301478) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
PubChem CID110301478
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC NameN-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESCCN(CC)C(C)CNC(=O)C(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C21H28FN3O/c1-4-25(5-2)16(3)15-24-21(26)20(14-19-8-6-7-13-23-19)17-9-11-18(22)12-10-17/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)
InChIKeyGFXJQPGONMQNKE-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
2-(4-fluorophenyl)-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 110296305
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide (CID 110301478) is N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide is CCN(CC)C(C)CNC(=O)C(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The InChIKey is GFXJQPGONMQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-4-25(5-2)16(3)15-24-21(26)20(14-19-8-6-7-13-23-19)17-9-11-18(22)12-10-17/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide has a molecular weight of 357.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110301478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).