N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine

C22H20N4 — CID 174650690

IUPACN-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CCNc3nccc4ccncc34)cc2)ccn1
InChIInChI=1S/C22H20N4/c1-16-14-20(9-12-24-16)18-4-2-17(3-5-18)6-11-25-22-21-15-23-10-7-19(21)8-13-26-22/h2-5,7-10,12-15H,6,11H2,1H3,(H,25,26)
InChIKeyZAWBZUXSUIUWSL-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.65
Rot. Bonds5

About N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine

N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine (PubChem CID 174650690) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
PubChem CID174650690
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC NameN-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CCNc3nccc4ccncc34)cc2)ccn1
InChIInChI=1S/C22H20N4/c1-16-14-20(9-12-24-16)18-4-2-17(3-5-18)6-11-25-22-21-15-23-10-7-19(21)8-13-26-22/h2-5,7-10,12-15H,6,11H2,1H3,(H,25,26)
InChIKeyZAWBZUXSUIUWSL-UHFFFAOYSA-N
XLogP4.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The IUPAC name of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine (CID 174650690) is N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CCNc3nccc4ccncc34)cc2)ccn1.
What is the InChIKey of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The InChIKey is ZAWBZUXSUIUWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-14-20(9-12-24-16)18-4-2-17(3-5-18)6-11-25-22-21-15-23-10-7-19(21)8-13-26-22/h2-5,7-10,12-15H,6,11H2,1H3,(H,25,26).
What are the key properties of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine has a molecular weight of 340.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 174650690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).