N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine

C23H23N5 — CID 58524469

IUPACN'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H23N5/c24-11-13-27-23-20-14-19(17-4-2-1-3-5-17)22(28-21(20)10-12-26-23)18-8-6-16(15-25)7-9-18/h1-10,12,14H,11,13,15,24-25H2,(H,26,27)
InChIKeyAUYILRLIDVLRJP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.79
Rot. Bonds6

About N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine

N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine (PubChem CID 58524469) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
PubChem CID58524469
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H23N5/c24-11-13-27-23-20-14-19(17-4-2-1-3-5-17)22(28-21(20)10-12-26-23)18-8-6-16(15-25)7-9-18/h1-10,12,14H,11,13,15,24-25H2,(H,26,27)
InChIKeyAUYILRLIDVLRJP-UHFFFAOYSA-N
XLogP3.79
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine (CID 58524469) is N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine is NCCNc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine?
The InChIKey is AUYILRLIDVLRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c24-11-13-27-23-20-14-19(17-4-2-1-3-5-17)22(28-21(20)10-12-26-23)18-8-6-16(15-25)7-9-18/h1-10,12,14H,11,13,15,24-25H2,(H,26,27).
What are the key properties of N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine?
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine has a molecular weight of 369.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 58524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).