2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide

C30H27N5O — CID 53251722

IUPAC2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESNCc1ccc(-c2nc3ccnc(C(=O)NCCNc4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H27N5O/c31-20-21-11-13-23(14-12-21)28-25(22-7-3-1-4-8-22)19-26-27(35-28)15-16-33-29(26)30(36)34-18-17-32-24-9-5-2-6-10-24/h1-16,19,32H,17-18,20,31H2,(H,34,36)
InChIKeyBYTFHAKSFGSGTE-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.26
Rot. Bonds8

About 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide

2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide (PubChem CID 53251722) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
PubChem CID53251722
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESNCc1ccc(-c2nc3ccnc(C(=O)NCCNc4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H27N5O/c31-20-21-11-13-23(14-12-21)28-25(22-7-3-1-4-8-22)19-26-27(35-28)15-16-33-29(26)30(36)34-18-17-32-24-9-5-2-6-10-24/h1-16,19,32H,17-18,20,31H2,(H,34,36)
InChIKeyBYTFHAKSFGSGTE-UHFFFAOYSA-N
XLogP5.26
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide (CID 53251722) is 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide is NCc1ccc(-c2nc3ccnc(C(=O)NCCNc4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide?
The InChIKey is BYTFHAKSFGSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c31-20-21-11-13-23(14-12-21)28-25(22-7-3-1-4-8-22)19-26-27(35-28)15-16-33-29(26)30(36)34-18-17-32-24-9-5-2-6-10-24/h1-16,19,32H,17-18,20,31H2,(H,34,36).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide?
2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 53251722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).