N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide

C20H25FN2O2 — CID 58368162

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O2/c1-13(15-7-6-8-17(21)11-15)25-18-10-9-16(12-22-18)19(24)23-14(2)20(3,4)5/h6-14H,1-5H3,(H,23,24)/t13?,14-/m1/s1
InChIKeyQCSCFGHPVMLZGB-ARLHGKGLSA-N
MW344.43 g/mol
LogP4.53
Rot. Bonds5

About N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide

N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide (PubChem CID 58368162) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
PubChem CID58368162
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O2/c1-13(15-7-6-8-17(21)11-15)25-18-10-9-16(12-22-18)19(24)23-14(2)20(3,4)5/h6-14H,1-5H3,(H,23,24)/t13?,14-/m1/s1
InChIKeyQCSCFGHPVMLZGB-ARLHGKGLSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 87552135
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide
CID 51959303
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
2-chloro-6-[(1S)-1-(3-fluorophenyl)ethoxy]pyrazine
CID 86315795
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 86985471

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide (CID 58368162) is N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide is CC(Oc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?
The InChIKey is QCSCFGHPVMLZGB-ARLHGKGLSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-13(15-7-6-8-17(21)11-15)25-18-10-9-16(12-22-18)19(24)23-14(2)20(3,4)5/h6-14H,1-5H3,(H,23,24)/t13?,14-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58368162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).