1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine

C12H11N3 — CID 11321538

IUPAC1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
SMILESC(=N/Cc1ccncc1)\c1ccncc1
InChIInChI=1S/C12H11N3/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h1-9H,10H2/b15-9+
InChIKeyXIKWUIDHGQXFAN-OQLLNIDSSA-N
MW197.24 g/mol
LogP2.10
Rot. Bonds3

About 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine

1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine (PubChem CID 11321538) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
PubChem CID11321538
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
SMILESC(=N/Cc1ccncc1)\c1ccncc1
InChIInChI=1S/C12H11N3/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h1-9H,10H2/b15-9+
InChIKeyXIKWUIDHGQXFAN-OQLLNIDSSA-N
XLogP2.10
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(pyridin-4-ylmethylideneamino)methyl]benzoic acid
CID 67479656
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
N-[[2-[[4,5-dimethoxy-2-[(pyridin-4-ylmethylideneamino)methyl]phenyl]disulfanyl]-4,5-dimethoxyphenyl]methyl]-1-pyridin-4-ylmethanimine
CID 14297043
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
CID 137006261
4-[[(1-methylpyridin-1-ium-4-yl)methylideneamino]methyl]phenol
CID 23065101
4-ethenylpyridine;trihydrobromide
CID 67161394
1-pyridin-4-yl-N-[(15R,16R)-16-(pyridin-4-ylmethylideneamino)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanimine
CID 58661508
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine
CID 141433789
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine?
The IUPAC name of 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine (CID 11321538) is 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine.
What is the SMILES notation for 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine?
The canonical SMILES for 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine is C(=N/Cc1ccncc1)\c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine?
The InChIKey is XIKWUIDHGQXFAN-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H11N3/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12/h1-9H,10H2/b15-9+.
What are the key properties of 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine?
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine has a molecular weight of 197.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine is sourced from PubChem (CID 11321538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).