1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine

C19H19N7 — CID 134274845

IUPAC1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILES[N-]=[N+]=NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C19H19N7/c20-25-24-12-16-7-8-19(23-11-16)15-26(13-17-5-1-3-9-21-17)14-18-6-2-4-10-22-18/h1-11H,12-15H2
InChIKeyHRLSAULDHBHKMM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.88
Rot. Bonds8

About 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine

1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 134274845) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID134274845
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILES[N-]=[N+]=NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C19H19N7/c20-25-24-12-16-7-8-19(23-11-16)15-26(13-17-5-1-3-9-21-17)14-18-6-2-4-10-22-18/h1-11H,12-15H2
InChIKeyHRLSAULDHBHKMM-UHFFFAOYSA-N
XLogP3.88
TPSA90.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 130353298
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
1-[5-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 10312778
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
CID 157458399
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol
CID 142289373

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 134274845) is 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine is [N-]=[N+]=NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is HRLSAULDHBHKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c20-25-24-12-16-7-8-19(23-11-16)15-26(13-17-5-1-3-9-21-17)14-18-6-2-4-10-22-18/h1-11H,12-15H2.
What are the key properties of 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 345.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 134274845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).