6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide

C18H21F2N3O — CID 47080122

IUPAC6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NC(C)c2ccc(F)cc2F)cn1
InChIInChI=1S/C18H21F2N3O/c1-4-23(5-2)17-9-6-13(11-21-17)18(24)22-12(3)15-8-7-14(19)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,24)
InChIKeySRFTUQUHMMRSPG-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.70
Rot. Bonds6

About 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide

6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 47080122) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID47080122
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NC(C)c2ccc(F)cc2F)cn1
InChIInChI=1S/C18H21F2N3O/c1-4-23(5-2)17-9-6-13(11-21-17)18(24)22-12(3)15-8-7-14(19)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,24)
InChIKeySRFTUQUHMMRSPG-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
N-[1-(2,4-difluorophenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 42939102
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 48679016
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017474

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide (CID 47080122) is 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NC(C)c2ccc(F)cc2F)cn1.
What is the InChIKey of 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is SRFTUQUHMMRSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-4-23(5-2)17-9-6-13(11-21-17)18(24)22-12(3)15-8-7-14(19)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47080122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).