6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

C14H21N3O2 — CID 81232217

IUPAC6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C(C)C)CC2)c(C(=O)O)cn1
InChIInChI=1S/C14H21N3O2/c1-10(2)16-4-6-17(7-5-16)13-8-11(3)15-9-12(13)14(18)19/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyTXFBJDBXXRPRCE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds3

About 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81232217) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID81232217
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCc1cc(N2CCN(C(C)C)CC2)c(C(=O)O)cn1
InChIInChI=1S/C14H21N3O2/c1-10(2)16-4-6-17(7-5-16)13-8-11(3)15-9-12(13)14(18)19/h8-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyTXFBJDBXXRPRCE-UHFFFAOYSA-N
XLogP1.62
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 81232217) is 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is Cc1cc(N2CCN(C(C)C)CC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is TXFBJDBXXRPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)16-4-6-17(7-5-16)13-8-11(3)15-9-12(13)14(18)19/h8-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).