N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine

C20H20N4 — CID 69493286

IUPACN-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1C/N=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C20H20N4/c1-24(20-11-5-7-13-23-20)16-18-9-3-2-8-17(18)14-21-15-19-10-4-6-12-22-19/h2-13,15H,14,16H2,1H3/b21-15+
InChIKeyJIXXHWSVOOPHCI-RCCKNPSSSA-N
MW316.41 g/mol
LogP3.73
Rot. Bonds6

About N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine

N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine (PubChem CID 69493286) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine
PubChem CID69493286
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1C/N=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C20H20N4/c1-24(20-11-5-7-13-23-20)16-18-9-3-2-8-17(18)14-21-15-19-10-4-6-12-22-19/h2-13,15H,14,16H2,1H3/b21-15+
InChIKeyJIXXHWSVOOPHCI-RCCKNPSSSA-N
XLogP3.73
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine (CID 69493286) is N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine is CN(Cc1ccccc1C/N=C/c1ccccn1)c1ccccn1.
What is the InChIKey of N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine?
The InChIKey is JIXXHWSVOOPHCI-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N4/c1-24(20-11-5-7-13-23-20)16-18-9-3-2-8-17(18)14-21-15-19-10-4-6-12-22-19/h2-13,15H,14,16H2,1H3/b21-15+.
What are the key properties of N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine?
N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 69493286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).