4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

C16H24N2O2 — CID 81244045

IUPAC4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CC(C)C)C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C16H24N2O2/c1-11(2)10-18(13-6-4-5-7-13)15-8-12(3)17-9-14(15)16(19)20/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyKBYCUAGDBBPCLR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.49
Rot. Bonds5

About 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244045) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244045
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CC(C)C)C2CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C16H24N2O2/c1-11(2)10-18(13-6-4-5-7-13)15-8-12(3)17-9-14(15)16(19)20/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyKBYCUAGDBBPCLR-UHFFFAOYSA-N
XLogP3.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81244045) is 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(N(CC(C)C)C2CCCC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is KBYCUAGDBBPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)10-18(13-6-4-5-7-13)15-8-12(3)17-9-14(15)16(19)20/h8-9,11,13H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).