(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone

C17H21N3O — CID 88929436

IUPAC(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone
SMILESNC12CC3CC(C1)C(C2)C1C(C3)N1C(=O)c1ccccn1
InChIInChI=1S/C17H21N3O/c18-17-7-10-5-11(8-17)12(9-17)15-14(6-10)20(15)16(21)13-3-1-2-4-19-13/h1-4,10-12,14-15H,5-9,18H2
InChIKeySJDVBFIIACKETP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds1

About (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone

(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone (PubChem CID 88929436) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone
PubChem CID88929436
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone
SMILESNC12CC3CC(C1)C(C2)C1C(C3)N1C(=O)c1ccccn1
InChIInChI=1S/C17H21N3O/c18-17-7-10-5-11(8-17)12(9-17)15-14(6-10)20(15)16(21)13-3-1-2-4-19-13/h1-4,10-12,14-15H,5-9,18H2
InChIKeySJDVBFIIACKETP-UHFFFAOYSA-N
XLogP1.81
TPSA58.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone (CID 88929436) is (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone is NC12CC3CC(C1)C(C2)C1C(C3)N1C(=O)c1ccccn1.
What is the InChIKey of (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone?
The InChIKey is SJDVBFIIACKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-17-7-10-5-11(8-17)12(9-17)15-14(6-10)20(15)16(21)13-3-1-2-4-19-13/h1-4,10-12,14-15H,5-9,18H2.
What are the key properties of (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone?
(1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone has a molecular weight of 283.37 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-azatetracyclo[6.3.1.03,10.04,6]dodecan-5-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 88929436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).