(5-methyl-6-phenyl-3-pyridinyl)carbamic acid

C13H12N2O2 — CID 174191032

IUPAC(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
SMILESCc1cc(NC(=O)O)cnc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-9-7-11(15-13(16)17)8-14-12(9)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,16,17)
InChIKeyHFACZPMMUIAILW-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.15
Rot. Bonds2

About (5-methyl-6-phenyl-3-pyridinyl)carbamic acid

(5-methyl-6-phenyl-3-pyridinyl)carbamic acid (PubChem CID 174191032) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (5-methyl-6-phenyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
PubChem CID174191032
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
SMILESCc1cc(NC(=O)O)cnc1-c1ccccc1
InChIInChI=1S/C13H12N2O2/c1-9-7-11(15-13(16)17)8-14-12(9)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,16,17)
InChIKeyHFACZPMMUIAILW-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
CID 58415904
5-fluoro-N-methyl-6-phenylpyridin-3-amine
CID 146930379
5-isocyanato-3-methyl-2-phenylpyridine
CID 83916757
(3-phenylphenyl)carbamic acid
CID 611602
[5-methyl-6-(1-methylpyrazol-4-yl)-2-phenyl-3-pyridinyl]carbamic acid
CID 137422991
(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
CID 118392353
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813
2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
2-[[6-(4-carbamoylphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 57479024

Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-phenyl-3-pyridinyl)carbamic acid?
The IUPAC name of (5-methyl-6-phenyl-3-pyridinyl)carbamic acid (CID 174191032) is (5-methyl-6-phenyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for (5-methyl-6-phenyl-3-pyridinyl)carbamic acid?
The canonical SMILES for (5-methyl-6-phenyl-3-pyridinyl)carbamic acid is Cc1cc(NC(=O)O)cnc1-c1ccccc1.
What is the InChIKey of (5-methyl-6-phenyl-3-pyridinyl)carbamic acid?
The InChIKey is HFACZPMMUIAILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-7-11(15-13(16)17)8-14-12(9)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,16,17).
What are the key properties of (5-methyl-6-phenyl-3-pyridinyl)carbamic acid?
(5-methyl-6-phenyl-3-pyridinyl)carbamic acid has a molecular weight of 228.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-phenyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 174191032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).