N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide

C18H22N2O2 — CID 7936129

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1[C@H](C)CC
InChIInChI=1S/C18H22N2O2/c1-4-13(3)14-9-6-7-11-16(14)20-17(21)15-10-8-12-19-18(15)22-5-2/h6-13H,4-5H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyLAQNZSNEMKAFIN-CYBMUJFWSA-N
MW298.39 g/mol
LogP4.25
Rot. Bonds6

About N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 7936129) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
PubChem CID7936129
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccccc1[C@H](C)CC
InChIInChI=1S/C18H22N2O2/c1-4-13(3)14-9-6-7-11-16(14)20-17(21)15-10-8-12-19-18(15)22-5-2/h6-13H,4-5H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyLAQNZSNEMKAFIN-CYBMUJFWSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilinophenyl)-2-ethoxypyridine-3-carboxamide
CID 44760849
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
2-ethoxy-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 2464326
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide (CID 7936129) is N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccccc1[C@H](C)CC.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is LAQNZSNEMKAFIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-13(3)14-9-6-7-11-16(14)20-17(21)15-10-8-12-19-18(15)22-5-2/h6-13H,4-5H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 7936129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).