6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid

C13H18N2O4 — CID 14210559

IUPAC6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)OCCCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-7-3-6-14-12(16)11-5-4-10(8-15-11)13(17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQBMDJNZLYULWLS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds7

About 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid

6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 14210559) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID14210559
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)OCCCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H18N2O4/c1-9(2)19-7-3-6-14-12(16)11-5-4-10(8-15-11)13(17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQBMDJNZLYULWLS-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
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

5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
6-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
6-[2-(difluoromethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 166316998
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid (CID 14210559) is 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid is CC(C)OCCCNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is QBMDJNZLYULWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)19-7-3-6-14-12(16)11-5-4-10(8-15-11)13(17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid?
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 14210559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).