6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid

C18H21N3O2 — CID 122053938

IUPAC6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(NC2CCN(c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-4-2-5-15(12-13)19-14-8-10-21(11-9-14)17-7-3-6-16(20-17)18(22)23/h2-7,12,14,19H,8-11H2,1H3,(H,22,23)
InChIKeyKWMLFDZKQDTWFG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.17
Rot. Bonds4

About 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053938) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053938
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1cccc(NC2CCN(c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-4-2-5-15(12-13)19-14-8-10-21(11-9-14)17-7-3-6-16(20-17)18(22)23/h2-7,12,14,19H,8-11H2,1H3,(H,22,23)
InChIKeyKWMLFDZKQDTWFG-UHFFFAOYSA-N
XLogP3.17
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
6-[4-(cyclopropanecarbonylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051588
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
1-(5-bromo-4-methyl-2-pyridinyl)-N-(3-methylphenyl)piperidin-4-amine
CID 133403074
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
(2S)-2-[4-(3-methylanilino)piperidin-1-yl]butanoic acid
CID 129401602
6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053563
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 86964133

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053938) is 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid is Cc1cccc(NC2CCN(c3cccc(C(=O)O)n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is KWMLFDZKQDTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-2-5-15(12-13)19-14-8-10-21(11-9-14)17-7-3-6-16(20-17)18(22)23/h2-7,12,14,19H,8-11H2,1H3,(H,22,23).
What are the key properties of 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).