3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide

C20H17N3O2 — CID 134813216

IUPAC3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H17N3O2/c1-13-5-6-15(14-7-9-22-10-8-14)12-18(13)23-20(25)17-4-2-3-16(11-17)19(21)24/h2-12H,1H3,(H2,21,24)(H,23,25)
InChIKeyBKSHJYAEWVGUJX-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.41
Rot. Bonds4

About 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide

3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 134813216) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID134813216
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H17N3O2/c1-13-5-6-15(14-7-9-22-10-8-14)12-18(13)23-20(25)17-4-2-3-16(11-17)19(21)24/h2-12H,1H3,(H2,21,24)(H,23,25)
InChIKeyBKSHJYAEWVGUJX-UHFFFAOYSA-N
XLogP3.41
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 122136858
N-(2-methyl-5-pyridin-4-ylphenyl)acetamide
CID 71934327
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 126804129
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
CID 6982314
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
3-cyano-N-(2-methyl-5-phenylphenyl)benzamide;2-methyl-5-phenylaniline
CID 157458415
4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
CID 120565245

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide (CID 134813216) is 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is BKSHJYAEWVGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-5-6-15(14-7-9-22-10-8-14)12-18(13)23-20(25)17-4-2-3-16(11-17)19(21)24/h2-12H,1H3,(H2,21,24)(H,23,25).
What are the key properties of 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide?
3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methyl-5-pyridin-4-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 134813216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).