[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine

C19H24N6 — CID 118580153

IUPAC[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine
SMILESCc1cc(-c2ccc(N3CCCC(N=[N+]=[N-])C3)cc2CN)cc(C)n1
InChIInChI=1S/C19H24N6/c1-13-8-15(9-14(2)22-13)19-6-5-18(10-16(19)11-20)25-7-3-4-17(12-25)23-24-21/h5-6,8-10,17H,3-4,7,11-12,20H2,1-2H3
InChIKeyMEJAPFPCMZPWDW-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.10
Rot. Bonds4

About [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine

[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine (PubChem CID 118580153) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine
PubChem CID118580153
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine
SMILESCc1cc(-c2ccc(N3CCCC(N=[N+]=[N-])C3)cc2CN)cc(C)n1
InChIInChI=1S/C19H24N6/c1-13-8-15(9-14(2)22-13)19-6-5-18(10-16(19)11-20)25-7-3-4-17(12-25)23-24-21/h5-6,8-10,17H,3-4,7,11-12,20H2,1-2H3
InChIKeyMEJAPFPCMZPWDW-UHFFFAOYSA-N
XLogP4.10
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine?
The IUPAC name of [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine (CID 118580153) is [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine.
What is the SMILES notation for [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine?
The canonical SMILES for [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine is Cc1cc(-c2ccc(N3CCCC(N=[N+]=[N-])C3)cc2CN)cc(C)n1.
What is the InChIKey of [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine?
The InChIKey is MEJAPFPCMZPWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-8-15(9-14(2)22-13)19-6-5-18(10-16(19)11-20)25-7-3-4-17(12-25)23-24-21/h5-6,8-10,17H,3-4,7,11-12,20H2,1-2H3.
What are the key properties of [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine?
[5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine has a molecular weight of 336.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-azidopiperidin-1-yl)-2-(2,6-dimethyl-4-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 118580153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).