6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid

C17H26N2O3 — CID 119179216

IUPAC6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C17H26N2O3/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(18-14)17(21)22/h5-7,12-13H,8-11H2,1-4H3,(H,21,22)
InChIKeyRJMAAQHJQBKRDP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.31
Rot. Bonds8

About 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid

6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119179216) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119179216
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C17H26N2O3/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(18-14)17(21)22/h5-7,12-13H,8-11H2,1-4H3,(H,21,22)
InChIKeyRJMAAQHJQBKRDP-UHFFFAOYSA-N
XLogP3.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
CID 91986542
CID 91986542
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 103790374
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
6-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119181957
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)pyridine-2,6-dicarboxamide
CID 67393235

Frequently Asked Questions

What is the IUPAC name of 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid (CID 119179216) is 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid is CC(C)CCN(CCC(C)C)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RJMAAQHJQBKRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)8-10-19(11-9-13(3)4)16(20)14-6-5-7-15(18-14)17(21)22/h5-7,12-13H,8-11H2,1-4H3,(H,21,22).
What are the key properties of 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid?
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).