5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid

C19H23N3O2 — CID 25187285

IUPAC5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid
SMILESCc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H23N3O2/c1-13-6-7-17(16(10-13)19(23)24)21-15-11-14(2)18(20-12-15)22-8-4-3-5-9-22/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,23,24)
InChIKeyKYXLPJYUHFIQRE-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.13
Rot. Bonds4

About 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid

5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid (PubChem CID 25187285) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid
PubChem CID25187285
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid
SMILESCc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H23N3O2/c1-13-6-7-17(16(10-13)19(23)24)21-15-11-14(2)18(20-12-15)22-8-4-3-5-9-22/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,23,24)
InChIKeyKYXLPJYUHFIQRE-UHFFFAOYSA-N
XLogP4.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid (CID 25187285) is 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid is Cc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid?
The InChIKey is KYXLPJYUHFIQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-7-17(16(10-13)19(23)24)21-15-11-14(2)18(20-12-15)22-8-4-3-5-9-22/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,23,24).
What are the key properties of 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid?
5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 25187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).