6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C20H27FN4O — CID 48679016

IUPAC6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cn1
InChIInChI=1S/C20H27FN4O/c1-5-25(6-2)19-12-9-16(13-22-19)20(26)23-14-18(24(3)4)15-7-10-17(21)11-8-15/h7-13,18H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyGLBZTROZXJYXOW-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.10
Rot. Bonds8

About 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 48679016) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID48679016
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cn1
InChIInChI=1S/C20H27FN4O/c1-5-25(6-2)19-12-9-16(13-22-19)20(26)23-14-18(24(3)4)15-7-10-17(21)11-8-15/h7-13,18H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyGLBZTROZXJYXOW-UHFFFAOYSA-N
XLogP3.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 47080122
6-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109157535
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
N-(3-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119997079
6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 48680767
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 48679016) is 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCC(c2ccc(F)cc2)N(C)C)cn1.
What is the InChIKey of 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is GLBZTROZXJYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-5-25(6-2)19-12-9-16(13-22-19)20(26)23-14-18(24(3)4)15-7-10-17(21)11-8-15/h7-13,18H,5-6,14H2,1-4H3,(H,23,26).
What are the key properties of 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 48679016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).