4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C18H17FN2O3 — CID 167863859

IUPAC4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(CC2CC2)C(=O)c2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C18H17FN2O3/c1-11-2-5-14(9-15(11)19)21(10-12-3-4-12)17(22)13-6-7-20-16(8-13)18(23)24/h2,5-9,12H,3-4,10H2,1H3,(H,23,24)
InChIKeyHTBPGGKLISTCGJ-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.28
Rot. Bonds5

About 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 167863859) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID167863859
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(N(CC2CC2)C(=O)c2ccnc(C(=O)O)c2)cc1F
InChIInChI=1S/C18H17FN2O3/c1-11-2-5-14(9-15(11)19)21(10-12-3-4-12)17(22)13-6-7-20-16(8-13)18(23)24/h2,5-9,12H,3-4,10H2,1H3,(H,23,24)
InChIKeyHTBPGGKLISTCGJ-UHFFFAOYSA-N
XLogP3.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 167863859) is 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(N(CC2CC2)C(=O)c2ccnc(C(=O)O)c2)cc1F.
What is the InChIKey of 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HTBPGGKLISTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-2-5-14(9-15(11)19)21(10-12-3-4-12)17(22)13-6-7-20-16(8-13)18(23)24/h2,5-9,12H,3-4,10H2,1H3,(H,23,24).
What are the key properties of 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 328.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167863859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).