2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H27N3O2 — CID 72922026

IUPAC2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C19H27N3O2/c1-12-11-22(9-8-19(12,24)14-5-3-6-14)18-15(17(20)23)10-13-4-2-7-16(13)21-18/h10,12,14,24H,2-9,11H2,1H3,(H2,20,23)/t12-,19+/m1/s1
InChIKeyKTZLSPIYTZOXRW-BLVKFPJESA-N
MW329.44 g/mol
LogP2.05
Rot. Bonds3

About 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72922026) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID72922026
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C19H27N3O2/c1-12-11-22(9-8-19(12,24)14-5-3-6-14)18-15(17(20)23)10-13-4-2-7-16(13)21-18/h10,12,14,24H,2-9,11H2,1H3,(H2,20,23)/t12-,19+/m1/s1
InChIKeyKTZLSPIYTZOXRW-BLVKFPJESA-N
XLogP2.05
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72922026) is 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is C[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)CC[C@@]1(O)C1CCC1.
What is the InChIKey of 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is KTZLSPIYTZOXRW-BLVKFPJESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-11-22(9-8-19(12,24)14-5-3-6-14)18-15(17(20)23)10-13-4-2-7-16(13)21-18/h10,12,14,24H,2-9,11H2,1H3,(H2,20,23)/t12-,19+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72922026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).