2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid

C16H24N2O3 — CID 106361779

IUPAC2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(NC2CCCC2CO)n1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13-7-11(15(20)21)8-14(18-13)17-12-6-4-5-10(12)9-19/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRSFMPNUMDSYOMI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.65
Rot. Bonds4

About 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid

2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid (PubChem CID 106361779) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
PubChem CID106361779
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(NC2CCCC2CO)n1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13-7-11(15(20)21)8-14(18-13)17-12-6-4-5-10(12)9-19/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRSFMPNUMDSYOMI-UHFFFAOYSA-N
XLogP2.65
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
CID 106361766
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106364093
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid (CID 106361779) is 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)cc(NC2CCCC2CO)n1.
What is the InChIKey of 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid?
The InChIKey is RSFMPNUMDSYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)13-7-11(15(20)21)8-14(18-13)17-12-6-4-5-10(12)9-19/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid?
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106361779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).