[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium

C30H29N5O+2 — CID 58524501

IUPAC[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(C(=O)NCc2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C30H27N5O/c31-17-20-6-10-23(11-7-20)29-25(22-4-2-1-3-5-22)16-26-27(35-29)14-15-33-28(26)19-34-30(36)24-12-8-21(18-32)9-13-24/h1-16H,17-19,31-32H2,(H,34,36)/p+2
InChIKeyUNSJNZAJGGNGKS-UHFFFAOYSA-P
MW475.60 g/mol
LogP3.38
Rot. Bonds7

About [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524501) has the molecular formula C30H29N5O+2 and a molecular weight of 475.60 g/mol. Its IUPAC name is [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524501
Molecular FormulaC30H29N5O+2
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC Name[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(C(=O)NCc2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C30H27N5O/c31-17-20-6-10-23(11-7-20)29-25(22-4-2-1-3-5-22)16-26-27(35-29)14-15-33-28(26)19-34-30(36)24-12-8-21(18-32)9-13-24/h1-16H,17-19,31-32H2,(H,34,36)/p+2
InChIKeyUNSJNZAJGGNGKS-UHFFFAOYSA-P
XLogP3.38
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium with MolForge

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Related Compounds

[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
N-[[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]methyl]-3H-pyrrole-2-carboxamide
CID 58524778
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597087
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
[4-[3-phenyl-5-(4-phenylmethoxyphenyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232590
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524501) is [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(C(=O)NCc2nccc3nc(-c4ccc(C[NH3+])cc4)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is UNSJNZAJGGNGKS-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H27N5O/c31-17-20-6-10-23(11-7-20)29-25(22-4-2-1-3-5-22)16-26-27(35-29)14-15-33-28(26)19-34-30(36)24-12-8-21(18-32)9-13-24/h1-16H,17-19,31-32H2,(H,34,36)/p+2.
What are the key properties of [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 475.60 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).