6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid

C22H29N3O4 — CID 68860523

IUPAC6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid
SMILESCCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1
InChIInChI=1S/C22H29N3O4/c1-3-28-19-11-16(12-20(13-19)29-4-2)15-25(18-7-9-23-10-8-18)21-6-5-17(14-24-21)22(26)27/h5-6,11-14,18,23H,3-4,7-10,15H2,1-2H3,(H,26,27)
InChIKeyGJZOVIDDTHAEIH-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.34
Rot. Bonds9

About 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid

6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid (PubChem CID 68860523) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid
PubChem CID68860523
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid
SMILESCCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1
InChIInChI=1S/C22H29N3O4/c1-3-28-19-11-16(12-20(13-19)29-4-2)15-25(18-7-9-23-10-8-18)21-6-5-17(14-24-21)22(26)27/h5-6,11-14,18,23H,3-4,7-10,15H2,1-2H3,(H,26,27)
InChIKeyGJZOVIDDTHAEIH-UHFFFAOYSA-N
XLogP3.34
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid (CID 68860523) is 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid is CCOc1cc(CN(c2ccc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1.
What is the InChIKey of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid?
The InChIKey is GJZOVIDDTHAEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-28-19-11-16(12-20(13-19)29-4-2)15-25(18-7-9-23-10-8-18)21-6-5-17(14-24-21)22(26)27/h5-6,11-14,18,23H,3-4,7-10,15H2,1-2H3,(H,26,27).
What are the key properties of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid?
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid has a molecular weight of 399.49 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 68860523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).