4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid

C14H21N3O3 — CID 106041493

IUPAC4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)17(3)8-4-6-16-13(18)11-5-7-15-12(9-11)14(19)20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZQDAUWPDJQXIFG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds7

About 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid

4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 106041493) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID106041493
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-10(2)17(3)8-4-6-16-13(18)11-5-7-15-12(9-11)14(19)20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZQDAUWPDJQXIFG-UHFFFAOYSA-N
XLogP1.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
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-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694
4-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 113385015
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid (CID 106041493) is 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid is CC(C)N(C)CCCNC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZQDAUWPDJQXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)17(3)8-4-6-16-13(18)11-5-7-15-12(9-11)14(19)20/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid?
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106041493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).