N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide

C28H28N2O2 — CID 122602458

IUPACN-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cc2cccc3ccccc23)cc(Oc2ccccc2)n1
InChIInChI=1S/C28H28N2O2/c1-20(2)15-16-29-28(31)26-18-21(19-27(30-26)32-24-12-4-3-5-13-24)17-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,18-20H,15-17H2,1-2H3,(H,29,31)
InChIKeyFEVRHVKNBWKIBA-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.39
Rot. Bonds8

About N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide

N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide (PubChem CID 122602458) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide
PubChem CID122602458
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cc2cccc3ccccc23)cc(Oc2ccccc2)n1
InChIInChI=1S/C28H28N2O2/c1-20(2)15-16-29-28(31)26-18-21(19-27(30-26)32-24-12-4-3-5-13-24)17-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,18-20H,15-17H2,1-2H3,(H,29,31)
InChIKeyFEVRHVKNBWKIBA-UHFFFAOYSA-N
XLogP6.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
1-(2-chlorophenyl)-N-(3-methylbutyl)isoquinoline-3-carboxamide
CID 59672249
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
CID 109287846
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
4-methyl-N-(3-methylbutyl)-2-phenoxyimidazole-1-carboxamide
CID 156708336
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
CID 43396392

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide (CID 122602458) is N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(Cc2cccc3ccccc23)cc(Oc2ccccc2)n1.
What is the InChIKey of N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide?
The InChIKey is FEVRHVKNBWKIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-20(2)15-16-29-28(31)26-18-21(19-27(30-26)32-24-12-4-3-5-13-24)17-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,18-20H,15-17H2,1-2H3,(H,29,31).
What are the key properties of N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide?
N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(naphthalen-1-ylmethyl)-6-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 122602458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).