2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C15H21N3O3 — CID 95885523

IUPAC2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CCC[C@](O)(CO)C1)CCC2
InChIInChI=1S/C15H21N3O3/c16-13(20)11-7-10-3-1-4-12(10)17-14(11)18-6-2-5-15(21,8-18)9-19/h7,19,21H,1-6,8-9H2,(H2,16,20)/t15-/m1/s1
InChIKeyGYMAEYIKCGZKJK-OAHLLOKOSA-N
MW291.35 g/mol
LogP-0.01
Rot. Bonds3

About 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 95885523) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID95885523
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CCC[C@](O)(CO)C1)CCC2
InChIInChI=1S/C15H21N3O3/c16-13(20)11-7-10-3-1-4-12(10)17-14(11)18-6-2-5-15(21,8-18)9-19/h7,19,21H,1-6,8-9H2,(H2,16,20)/t15-/m1/s1
InChIKeyGYMAEYIKCGZKJK-OAHLLOKOSA-N
XLogP-0.01
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885525
2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95881220
2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70742647
2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 156603375
2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97114677
2-(1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70715684
2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 164689522
2-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 98863888
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402
2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70710101
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66212034
N-(3-carbamoylphenyl)-2-(4,4-difluoroazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264411

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 95885523) is 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1N1CCC[C@](O)(CO)C1)CCC2.
What is the InChIKey of 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is GYMAEYIKCGZKJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-13(20)11-7-10-3-1-4-12(10)17-14(11)18-6-2-5-15(21,8-18)9-19/h7,19,21H,1-6,8-9H2,(H2,16,20)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 95885523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).