[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium

C28H24N5O+ — CID 140597105

IUPAC[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCc4ccccn4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H23N5O/c29-17-19-9-11-21(12-10-19)26-23(20-6-2-1-3-7-20)16-24-25(33-26)13-15-31-27(24)28(34)32-18-22-8-4-5-14-30-22/h1-16H,17-18,29H2,(H,32,34)/p+1
InChIKeyQKLRFLWEFRBSPM-UHFFFAOYSA-O
MW446.53 g/mol
LogP4.03
Rot. Bonds6

About [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium

[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 140597105) has the molecular formula C28H24N5O+ and a molecular weight of 446.53 g/mol. Its IUPAC name is [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID140597105
Molecular FormulaC28H24N5O+
Molecular Weight446.53 g/mol
Exact Mass446.20
IUPAC Name[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCc4ccccn4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H23N5O/c29-17-19-9-11-21(12-10-19)26-23(20-6-2-1-3-7-20)16-24-25(33-26)13-15-31-27(24)28(34)32-18-22-8-4-5-14-30-22/h1-16H,17-18,29H2,(H,32,34)/p+1
InChIKeyQKLRFLWEFRBSPM-UHFFFAOYSA-O
XLogP4.03
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597087
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[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-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251722
[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
[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]-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927240
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392

Frequently Asked Questions

What is the IUPAC name of [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 140597105) is [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(C(=O)NCc4ccccn4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is QKLRFLWEFRBSPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H23N5O/c29-17-19-9-11-21(12-10-19)26-23(20-6-2-1-3-7-20)16-24-25(33-26)13-15-31-27(24)28(34)32-18-22-8-4-5-14-30-22/h1-16H,17-18,29H2,(H,32,34)/p+1.
What are the key properties of [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 446.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 140597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).