5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid

C18H18FN3O3 — CID 69457713

IUPAC5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)O
InChIInChI=1S/C18H18FN3O3/c1-11-16(18(24)25)9-14(10-20-11)21-17(23)12-6-13(19)8-15(7-12)22-4-2-3-5-22/h6-10H,2-5H2,1H3,(H,21,23)(H,24,25)
InChIKeyRNJWYTREOUYIQT-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.08
Rot. Bonds4

About 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid

5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid (PubChem CID 69457713) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid
PubChem CID69457713
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)O
InChIInChI=1S/C18H18FN3O3/c1-11-16(18(24)25)9-14(10-20-11)21-17(23)12-6-13(19)8-15(7-12)22-4-2-3-5-22/h6-10H,2-5H2,1H3,(H,21,23)(H,24,25)
InChIKeyRNJWYTREOUYIQT-UHFFFAOYSA-N
XLogP3.08
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid (CID 69457713) is 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid is Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)O.
What is the InChIKey of 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is RNJWYTREOUYIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-16(18(24)25)9-14(10-20-11)21-17(23)12-6-13(19)8-15(7-12)22-4-2-3-5-22/h6-10H,2-5H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid?
5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 69457713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).