2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid

C16H16N2O3 — CID 75539634

IUPAC2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c1-16(2,15(20)21)12-5-7-13(8-6-12)18-14(19)11-4-3-9-17-10-11/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyVXGUDZUYKWCXQE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.70
Rot. Bonds4

About 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid

2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid (PubChem CID 75539634) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
PubChem CID75539634
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c1-16(2,15(20)21)12-5-7-13(8-6-12)18-14(19)11-4-3-9-17-10-11/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyVXGUDZUYKWCXQE-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
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2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
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4-tert-butyl-N-pyridin-3-ylbenzamide
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N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 122188018
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-pyridin-3-ylbenzamide;dihydrochloride
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CID 930177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid (CID 75539634) is 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid?
The InChIKey is VXGUDZUYKWCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2,15(20)21)12-5-7-13(8-6-12)18-14(19)11-4-3-9-17-10-11/h3-10H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid?
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 75539634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).