6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol

C24H32N2O3 — CID 163726400

IUPAC6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol
SMILESCc1cc(C(=O)O)cnc1C1CCCC1.Cc1cc(CO)cnc1C1CCCC1
InChIInChI=1S/C12H15NO2.C12H17NO/c1-8-6-10(12(14)15)7-13-11(8)9-4-2-3-5-9;1-9-6-10(8-14)7-13-12(9)11-4-2-3-5-11/h6-7,9H,2-5H2,1H3,(H,14,15);6-7,11,14H,2-5,8H2,1H3
InChIKeyKVYSWAGJOCFTTH-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.29
Rot. Bonds4

About 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol

6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol (PubChem CID 163726400) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol
PubChem CID163726400
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol
SMILESCc1cc(C(=O)O)cnc1C1CCCC1.Cc1cc(CO)cnc1C1CCCC1
InChIInChI=1S/C12H15NO2.C12H17NO/c1-8-6-10(12(14)15)7-13-11(8)9-4-2-3-5-9;1-9-6-10(8-14)7-13-12(9)11-4-2-3-5-11/h6-7,9H,2-5H2,1H3,(H,14,15);6-7,11,14H,2-5,8H2,1H3
InChIKeyKVYSWAGJOCFTTH-UHFFFAOYSA-N
XLogP5.29
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
CID 80632655
7-cyclobutyl-6-methylquinoline-3-carboxylic acid
CID 129275964
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80631026
CID 158860018
CID 158860018
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
5-methyl-6-[methyl-(2-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 80632415
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
6-(2,3-dimethylpiperidin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80631782
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol?
The IUPAC name of 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol (CID 163726400) is 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol?
The canonical SMILES for 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol is Cc1cc(C(=O)O)cnc1C1CCCC1.Cc1cc(CO)cnc1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol?
The InChIKey is KVYSWAGJOCFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C12H17NO/c1-8-6-10(12(14)15)7-13-11(8)9-4-2-3-5-9;1-9-6-10(8-14)7-13-12(9)11-4-2-3-5-11/h6-7,9H,2-5H2,1H3,(H,14,15);6-7,11,14H,2-5,8H2,1H3.
What are the key properties of 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol?
6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol has a molecular weight of 396.53 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-methylpyridine-3-carboxylic acid;(6-cyclopentyl-5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 163726400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).