2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C18H16Cl2F2N2O2 — CID 99804168

IUPAC2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(c1cc(F)c(Cl)nc1Cl)N(Cc1cccc(F)c1)C[C@H]1CCCO1
InChIInChI=1S/C18H16Cl2F2N2O2/c19-16-14(8-15(22)17(20)23-16)18(25)24(10-13-5-2-6-26-13)9-11-3-1-4-12(21)7-11/h1,3-4,7-8,13H,2,5-6,9-10H2/t13-/m1/s1
InChIKeyGGOUBRXWAKUMLP-CYBMUJFWSA-N
MW401.24 g/mol
LogP4.49
Rot. Bonds5

About 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 99804168) has the molecular formula C18H16Cl2F2N2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID99804168
Molecular FormulaC18H16Cl2F2N2O2
Molecular Weight401.24 g/mol
Exact Mass400.06
IUPAC Name2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(c1cc(F)c(Cl)nc1Cl)N(Cc1cccc(F)c1)C[C@H]1CCCO1
InChIInChI=1S/C18H16Cl2F2N2O2/c19-16-14(8-15(22)17(20)23-16)18(25)24(10-13-5-2-6-26-13)9-11-3-1-4-12(21)7-11/h1,3-4,7-8,13H,2,5-6,9-10H2/t13-/m1/s1
InChIKeyGGOUBRXWAKUMLP-CYBMUJFWSA-N
XLogP4.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
4-bromo-N-[(3-fluorophenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 49393069
N-[(3-fluorophenyl)methyl]-1,3,6-trimethyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 49337892
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 99804168) is 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is O=C(c1cc(F)c(Cl)nc1Cl)N(Cc1cccc(F)c1)C[C@H]1CCCO1.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GGOUBRXWAKUMLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O2/c19-16-14(8-15(22)17(20)23-16)18(25)24(10-13-5-2-6-26-13)9-11-3-1-4-12(21)7-11/h1,3-4,7-8,13H,2,5-6,9-10H2/t13-/m1/s1.
What are the key properties of 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 401.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 99804168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).