6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid

C14H22N2O2 — CID 62702882

IUPAC6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-9(2)8-16(10(3)4)13-12(14(17)18)7-6-11(5)15-13/h6-7,9-10H,8H2,1-5H3,(H,17,18)
InChIKeyOZOQTFUKMUHAAK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.96
Rot. Bonds5

About 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid

6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 62702882) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID62702882
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(CC(C)C)C(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-9(2)8-16(10(3)4)13-12(14(17)18)7-6-11(5)15-13/h6-7,9-10H,8H2,1-5H3,(H,17,18)
InChIKeyOZOQTFUKMUHAAK-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702835
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702018
2-[2-methylpropyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 63535310
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680
2-[2-methylpropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703046
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
CID 62701108
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid (CID 62702882) is 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(CC(C)C)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is OZOQTFUKMUHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)8-16(10(3)4)13-12(14(17)18)7-6-11(5)15-13/h6-7,9-10H,8H2,1-5H3,(H,17,18).
What are the key properties of 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid?
6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62702882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).