5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide

C23H23N3O3 — CID 109102453

IUPAC5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-3-16(2)25-22(27)17-13-18(15-24-14-17)23(28)26-20-11-7-8-12-21(20)29-19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAVCUBXYCIORUEA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.65
Rot. Bonds7

About 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109102453) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109102453
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-3-16(2)25-22(27)17-13-18(15-24-14-17)23(28)26-20-11-7-8-12-21(20)29-19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAVCUBXYCIORUEA-UHFFFAOYSA-N
XLogP4.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457
5-N-butan-2-yl-3-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102419
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide (CID 109102453) is 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide is CCC(C)NC(=O)c1cncc(C(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is AVCUBXYCIORUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-16(2)25-22(27)17-13-18(15-24-14-17)23(28)26-20-11-7-8-12-21(20)29-19-9-5-4-6-10-19/h4-16H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).