(5-methyl-3-pyridinyl)-phenylcarbamic acid

C13H12N2O2 — CID 66885167

IUPAC(5-methyl-3-pyridinyl)-phenylcarbamic acid
SMILESCc1cncc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c1-10-7-12(9-14-8-10)15(13(16)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyDOUDWPFSBVDANS-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.21
Rot. Bonds2

About (5-methyl-3-pyridinyl)-phenylcarbamic acid

(5-methyl-3-pyridinyl)-phenylcarbamic acid (PubChem CID 66885167) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-phenylcarbamic acid
PubChem CID66885167
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(5-methyl-3-pyridinyl)-phenylcarbamic acid
SMILESCc1cncc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c1-10-7-12(9-14-8-10)15(13(16)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyDOUDWPFSBVDANS-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-5-phenylphenyl)-phenylcarbamic acid
CID 59842791
cobalt;bis(diphenylcarbamic acid)
CID 155679078
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
[3,5-bis(1,3-oxazol-5-yl)phenyl]-phenylcarbamic acid
CID 118954163
(4-cyano-3-methylphenyl)-phenylcarbamic acid
CID 126683768
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
[4,6-bis(dimethylamino)pyrimidin-2-yl]-phenylcarbamic acid
CID 67693508
(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 118954162
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
CID 59642236
N-(3-methylphenyl)-N-pyridin-3-ylacetamide
CID 20820139

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-phenylcarbamic acid?
The IUPAC name of (5-methyl-3-pyridinyl)-phenylcarbamic acid (CID 66885167) is (5-methyl-3-pyridinyl)-phenylcarbamic acid.
What is the SMILES notation for (5-methyl-3-pyridinyl)-phenylcarbamic acid?
The canonical SMILES for (5-methyl-3-pyridinyl)-phenylcarbamic acid is Cc1cncc(N(C(=O)O)c2ccccc2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-phenylcarbamic acid?
The InChIKey is DOUDWPFSBVDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-7-12(9-14-8-10)15(13(16)17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of (5-methyl-3-pyridinyl)-phenylcarbamic acid?
(5-methyl-3-pyridinyl)-phenylcarbamic acid has a molecular weight of 228.25 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-phenylcarbamic acid is sourced from PubChem (CID 66885167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).