4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid

C13H20N2O3 — CID 82947512

IUPAC4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
SMILESCCCOCCCNc1nccc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-8-18-9-4-6-14-12-11(13(16)17)10(2)5-7-15-12/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNFTPWJGASQLFHC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.32
Rot. Bonds8

About 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid

4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid (PubChem CID 82947512) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
PubChem CID82947512
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
SMILESCCCOCCCNc1nccc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-8-18-9-4-6-14-12-11(13(16)17)10(2)5-7-15-12/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNFTPWJGASQLFHC-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.32
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

4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-(3-propoxypropylamino)pyrimidine-4-carboxylic acid
CID 107554293
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60677761
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid (CID 82947512) is 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid is CCCOCCCNc1nccc(C)c1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid?
The InChIKey is NFTPWJGASQLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-8-18-9-4-6-14-12-11(13(16)17)10(2)5-7-15-12/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid?
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82947512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).