6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid

C14H20N2O3 — CID 115268256

IUPAC6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(17)16(10(2)3)12-8-7-11(9-15-12)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19)
InChIKeyDSNWRRUOCYCWLQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.71
Rot. Bonds6

About 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid

6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 115268256) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID115268256
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-5-6-13(17)16(10(2)3)12-8-7-11(9-15-12)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19)
InChIKeyDSNWRRUOCYCWLQ-UHFFFAOYSA-N
XLogP2.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid (CID 115268256) is 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid is CCCCC(=O)N(c1ccc(C(=O)O)cn1)C(C)C.
What is the InChIKey of 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is DSNWRRUOCYCWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-6-13(17)16(10(2)3)12-8-7-11(9-15-12)14(18)19/h7-10H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[pentanoyl(propan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115268256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).