N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide

C19H16F2N2O2 — CID 124559510

IUPACN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccco1)[C@@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O2/c1-2-23(19(24)17-6-4-10-25-17)18(13-5-3-9-22-12-13)15-8-7-14(20)11-16(15)21/h3-12,18H,2H2,1H3/t18-/m0/s1
InChIKeyDUJVZKGRUQVIIO-SFHVURJKSA-N
MW342.35 g/mol
LogP4.20
Rot. Bonds5

About N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide

N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide (PubChem CID 124559510) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
PubChem CID124559510
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccco1)[C@@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O2/c1-2-23(19(24)17-6-4-10-25-17)18(13-5-3-9-22-12-13)15-8-7-14(20)11-16(15)21/h3-12,18H,2H2,1H3/t18-/m0/s1
InChIKeyDUJVZKGRUQVIIO-SFHVURJKSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine
CID 97216355
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900528
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 156906950
[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 156906938
3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935664
trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 124850594
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]furan-2-carboxamide
CID 156906947
3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
CID 82090064

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide (CID 124559510) is N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide is CCN(C(=O)c1ccco1)[C@@H](c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide?
The InChIKey is DUJVZKGRUQVIIO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-2-23(19(24)17-6-4-10-25-17)18(13-5-3-9-22-12-13)15-8-7-14(20)11-16(15)21/h3-12,18H,2H2,1H3/t18-/m0/s1.
What are the key properties of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide?
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 124559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).