2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine

C17H18N4 — CID 142556829

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine
SMILES[H]/N=C\c1ccccc1Nc1ccnc(N2CC=CCC2)c1
InChIInChI=1S/C17H18N4/c18-13-14-6-2-3-7-16(14)20-15-8-9-19-17(12-15)21-10-4-1-5-11-21/h1-4,6-9,12-13,18H,5,10-11H2,(H,19,20)/b18-13-
InChIKeySMVMDOKEZKCQFZ-AQTBWJFISA-N
MW278.36 g/mol
LogP3.59
Rot. Bonds4

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine

2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine (PubChem CID 142556829) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine
PubChem CID142556829
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine
SMILES[H]/N=C\c1ccccc1Nc1ccnc(N2CC=CCC2)c1
InChIInChI=1S/C17H18N4/c18-13-14-6-2-3-7-16(14)20-15-8-9-19-17(12-15)21-10-4-1-5-11-21/h1-4,6-9,12-13,18H,5,10-11H2,(H,19,20)/b18-13-
InChIKeySMVMDOKEZKCQFZ-AQTBWJFISA-N
XLogP3.59
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine (CID 142556829) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine is [H]/N=C\c1ccccc1Nc1ccnc(N2CC=CCC2)c1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine?
The InChIKey is SMVMDOKEZKCQFZ-AQTBWJFISA-N. The full InChI is InChI=1S/C17H18N4/c18-13-14-6-2-3-7-16(14)20-15-8-9-19-17(12-15)21-10-4-1-5-11-21/h1-4,6-9,12-13,18H,5,10-11H2,(H,19,20)/b18-13-.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(2-methanimidoylphenyl)pyridin-4-amine is sourced from PubChem (CID 142556829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).