N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide

C19H26N4O2 — CID 155551868

IUPACN-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(n2cc3ncccc3c2O)CC1
InChIInChI=1S/C19H26N4O2/c24-18-16-7-4-10-20-17(16)13-23(18)15-8-11-22(12-9-15)19(25)21-14-5-2-1-3-6-14/h4,7,10,13-15,24H,1-3,5-6,8-9,11-12H2,(H,21,25)
InChIKeyYUXRGOZADIEARS-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.42
Rot. Bonds2

About N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide

N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide (PubChem CID 155551868) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide
PubChem CID155551868
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(n2cc3ncccc3c2O)CC1
InChIInChI=1S/C19H26N4O2/c24-18-16-7-4-10-20-17(16)13-23(18)15-8-11-22(12-9-15)19(25)21-14-5-2-1-3-6-14/h4,7,10,13-15,24H,1-3,5-6,8-9,11-12H2,(H,21,25)
InChIKeyYUXRGOZADIEARS-UHFFFAOYSA-N
XLogP3.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide (CID 155551868) is N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(n2cc3ncccc3c2O)CC1.
What is the InChIKey of N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide?
The InChIKey is YUXRGOZADIEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-16-7-4-10-20-17(16)13-23(18)15-8-11-22(12-9-15)19(25)21-14-5-2-1-3-6-14/h4,7,10,13-15,24H,1-3,5-6,8-9,11-12H2,(H,21,25).
What are the key properties of N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide?
N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-hydroxypyrrolo[3,4-b]pyridin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 155551868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).