[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium

C26H24N7O+ — CID 140597087

IUPAC[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCCc4ncn[nH]4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N7O/c27-15-17-6-8-19(9-7-17)24-20(18-4-2-1-3-5-18)14-21-22(32-24)10-12-28-25(21)26(34)29-13-11-23-30-16-31-33-23/h1-10,12,14,16H,11,13,15,27H2,(H,29,34)(H,30,31,33)/p+1
InChIKeyDNNFRAMWZYIIBE-UHFFFAOYSA-O
MW450.53 g/mol
LogP2.80
Rot. Bonds7

About [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 140597087) has the molecular formula C26H24N7O+ and a molecular weight of 450.53 g/mol. Its IUPAC name is [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID140597087
Molecular FormulaC26H24N7O+
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Name[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCCc4ncn[nH]4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N7O/c27-15-17-6-8-19(9-7-17)24-20(18-4-2-1-3-5-18)14-21-22(32-24)10-12-28-25(21)26(34)29-13-11-23-30-16-31-33-23/h1-10,12,14,16H,11,13,15,27H2,(H,29,34)(H,30,31,33)/p+1
InChIKeyDNNFRAMWZYIIBE-UHFFFAOYSA-O
XLogP2.80
TPSA124.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959305
2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251722
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
2-[4-(aminomethyl)phenyl]-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927240
2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 67247399
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524568
N-(2-acetamidoethyl)-2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927235

Frequently Asked Questions

What is the IUPAC name of [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 140597087) is [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCCc4ncn[nH]4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is DNNFRAMWZYIIBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N7O/c27-15-17-6-8-19(9-7-17)24-20(18-4-2-1-3-5-18)14-21-22(32-24)10-12-28-25(21)26(34)29-13-11-23-30-16-31-33-23/h1-10,12,14,16H,11,13,15,27H2,(H,29,34)(H,30,31,33)/p+1.
What are the key properties of [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 450.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 140597087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).