N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C13H14N6 — CID 130353298

IUPACN-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILES[N-]=[N+]=NCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C13H14N6/c14-18-17-11-19(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13/h1-8H,9-11H2
InChIKeyHOEJXVQCYXCCGC-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.75
Rot. Bonds6

About N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 130353298) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID130353298
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILES[N-]=[N+]=NCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C13H14N6/c14-18-17-11-19(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13/h1-8H,9-11H2
InChIKeyHOEJXVQCYXCCGC-UHFFFAOYSA-N
XLogP2.75
TPSA77.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
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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Related Compounds

1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 134274845
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
iron(2+);propan-2-ol;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;diisothiocyanate
CID 139136103
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034

Frequently Asked Questions

What is the IUPAC name of N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 130353298) is N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is [N-]=[N+]=NCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is HOEJXVQCYXCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-18-17-11-19(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13/h1-8H,9-11H2.
What are the key properties of N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 254.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 130353298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).