(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid

C16H17FN2O3 — CID 138557800

IUPAC(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
SMILESCOc1c(C)cnc(CN(C(=O)O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H17FN2O3/c1-10-8-18-14(11(2)15(10)22-3)9-19(16(20)21)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHLOFHFGEIYWNSE-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.53
Rot. Bonds4

About (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid

(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid (PubChem CID 138557800) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
PubChem CID138557800
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
SMILESCOc1c(C)cnc(CN(C(=O)O)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H17FN2O3/c1-10-8-18-14(11(2)15(10)22-3)9-19(16(20)21)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHLOFHFGEIYWNSE-UHFFFAOYSA-N
XLogP3.53
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid?
The IUPAC name of (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid (CID 138557800) is (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid.
What is the SMILES notation for (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid?
The canonical SMILES for (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid is COc1c(C)cnc(CN(C(=O)O)c2ccc(F)cc2)c1C.
What is the InChIKey of (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid?
The InChIKey is HLOFHFGEIYWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-8-18-14(11(2)15(10)22-3)9-19(16(20)21)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid?
(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid has a molecular weight of 304.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid is sourced from PubChem (CID 138557800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).