(6-methyl-4-phenyl-3-pyridinyl)carbamic acid

C13H12N2O2 — CID 118392353

IUPAC(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
SMILESCc1cc(-c2ccccc2)c(NC(=O)O)cn1
InChIInChI=1S/C13H12N2O2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)15-13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyKMEPKQYMBGNZIN-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.15
Rot. Bonds2

About (6-methyl-4-phenyl-3-pyridinyl)carbamic acid

(6-methyl-4-phenyl-3-pyridinyl)carbamic acid (PubChem CID 118392353) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (6-methyl-4-phenyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
PubChem CID118392353
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
SMILESCc1cc(-c2ccccc2)c(NC(=O)O)cn1
InChIInChI=1S/C13H12N2O2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)15-13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyKMEPKQYMBGNZIN-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

6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
2,5-dimethyl-4-phenylpyridine
CID 603086
(6-methyl-4-phenyl-3-pyridinyl)methanamine
CID 90247119
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methyl-4-phenylpyridine-3-carboxamide
CID 166163327
(6-methyl-4-phenyl-3-pyridinyl) trifluoromethanesulfonate
CID 101475553
[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
CID 142858663
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
CID 174191032
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525780
(4-pyridin-2-yl-3-pyridinyl)carbamic acid
CID 118063943
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-phenyl-3-pyridinyl)carbamic acid?
The IUPAC name of (6-methyl-4-phenyl-3-pyridinyl)carbamic acid (CID 118392353) is (6-methyl-4-phenyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for (6-methyl-4-phenyl-3-pyridinyl)carbamic acid?
The canonical SMILES for (6-methyl-4-phenyl-3-pyridinyl)carbamic acid is Cc1cc(-c2ccccc2)c(NC(=O)O)cn1.
What is the InChIKey of (6-methyl-4-phenyl-3-pyridinyl)carbamic acid?
The InChIKey is KMEPKQYMBGNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)15-13(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of (6-methyl-4-phenyl-3-pyridinyl)carbamic acid?
(6-methyl-4-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 (6-methyl-4-phenyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 118392353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).