N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine

C19H18N4 — CID 122549135

IUPACN,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
SMILESCN(C)c1cccnc1-c1ccccc1/N=C/c1ccccn1
InChIInChI=1S/C19H18N4/c1-23(2)18-11-7-13-21-19(18)16-9-3-4-10-17(16)22-14-15-8-5-6-12-20-15/h3-14H,1-2H3/b22-14+
InChIKeyJPPXFBQRCKAUQN-HYARGMPZSA-N
MW302.38 g/mol
LogP3.96
Rot. Bonds4

About N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine

N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine (PubChem CID 122549135) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
PubChem CID122549135
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC NameN,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
SMILESCN(C)c1cccnc1-c1ccccc1/N=C/c1ccccn1
InChIInChI=1S/C19H18N4/c1-23(2)18-11-7-13-21-19(18)16-9-3-4-10-17(16)22-14-15-8-5-6-12-20-15/h3-14H,1-2H3/b22-14+
InChIKeyJPPXFBQRCKAUQN-HYARGMPZSA-N
XLogP3.96
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.96
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,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine (CID 122549135) is N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine is CN(C)c1cccnc1-c1ccccc1/N=C/c1ccccn1.
What is the InChIKey of N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine?
The InChIKey is JPPXFBQRCKAUQN-HYARGMPZSA-N. The full InChI is InChI=1S/C19H18N4/c1-23(2)18-11-7-13-21-19(18)16-9-3-4-10-17(16)22-14-15-8-5-6-12-20-15/h3-14H,1-2H3/b22-14+.
What are the key properties of N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine?
N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine has a molecular weight of 302.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine is sourced from PubChem (CID 122549135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).