4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

C21H30N4O2 — CID 58146419

IUPAC4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESCONCC(N)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C21H30N4O2/c1-27-24-11-17(22)16-10-23-18-4-2-3-15(18)20(16)25-19-13-5-12-6-14(19)9-21(26,7-12)8-13/h2-3,10,12-14,17,19,24,26H,4-9,11,22H2,1H3,(H,23,25)
InChIKeyRCGZGKKQLXQGLL-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.15
Rot. Bonds6

About 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (PubChem CID 58146419) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
PubChem CID58146419
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESCONCC(N)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C21H30N4O2/c1-27-24-11-17(22)16-10-23-18-4-2-3-15(18)20(16)25-19-13-5-12-6-14(19)9-21(26,7-12)8-13/h2-3,10,12-14,17,19,24,26H,4-9,11,22H2,1H3,(H,23,25)
InChIKeyRCGZGKKQLXQGLL-UHFFFAOYSA-N
XLogP2.15
TPSA92.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (CID 58146419) is 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is CONCC(N)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.
What is the InChIKey of 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The InChIKey is RCGZGKKQLXQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-27-24-11-17(22)16-10-23-18-4-2-3-15(18)20(16)25-19-13-5-12-6-14(19)9-21(26,7-12)8-13/h2-3,10,12-14,17,19,24,26H,4-9,11,22H2,1H3,(H,23,25).
What are the key properties of 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol has a molecular weight of 370.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-amino-2-(methoxyamino)ethyl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 58146419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).