6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid

C16H25N3O2 — CID 81229069

IUPAC6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCCN2CCCCC2C)c(C(=O)O)cn1
InChIInChI=1S/C16H25N3O2/c1-12-10-15(14(11-18-12)16(20)21)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyXVYZHNRWGSALEQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.76
Rot. Bonds6

About 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid

6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid (PubChem CID 81229069) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
PubChem CID81229069
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCCN2CCCCC2C)c(C(=O)O)cn1
InChIInChI=1S/C16H25N3O2/c1-12-10-15(14(11-18-12)16(20)21)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyXVYZHNRWGSALEQ-UHFFFAOYSA-N
XLogP2.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 81273437
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid (CID 81229069) is 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid is Cc1cc(NCCCN2CCCCC2C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid?
The InChIKey is XVYZHNRWGSALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-15(14(11-18-12)16(20)21)17-7-5-9-19-8-4-3-6-13(19)2/h10-11,13H,3-9H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid?
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81229069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).