6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide

C18H22N2O3 — CID 52501301

IUPAC6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C18H22N2O3/c1-5-23-17-9-7-14(11-19-17)18(21)20-13(3)15-10-12(2)6-8-16(15)22-4/h6-11,13H,5H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyIEBLPKUKYHSJPT-CYBMUJFWSA-N
MW314.39 g/mol
LogP3.29
Rot. Bonds6

About 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide

6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 52501301) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID52501301
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cn1
InChIInChI=1S/C18H22N2O3/c1-5-23-17-9-7-14(11-19-17)18(21)20-13(3)15-10-12(2)6-8-16(15)22-4/h6-11,13H,5H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyIEBLPKUKYHSJPT-CYBMUJFWSA-N
XLogP3.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
CID 9264106
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9264228
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide (CID 52501301) is 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cn1.
What is the InChIKey of 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IEBLPKUKYHSJPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-23-17-9-7-14(11-19-17)18(21)20-13(3)15-10-12(2)6-8-16(15)22-4/h6-11,13H,5H2,1-4H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide?
6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 52501301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).