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

C31H27N4O+ — CID 58524568

IUPAC[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4ccc(C(=O)NC5CC5)cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C31H26N4O/c32-19-20-6-8-23(9-7-20)30-26(21-4-2-1-3-5-21)18-27-28(35-30)16-17-33-29(27)22-10-12-24(13-11-22)31(36)34-25-14-15-25/h1-13,16-18,25H,14-15,19,32H2,(H,34,36)/p+1
InChIKeyUSEIYQHKNBQECB-UHFFFAOYSA-O
MW471.58 g/mol
LogP5.26
Rot. Bonds6

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

[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (PubChem CID 58524568) has the molecular formula C31H27N4O+ and a molecular weight of 471.58 g/mol. Its IUPAC name is [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
PubChem CID58524568
Molecular FormulaC31H27N4O+
Molecular Weight471.58 g/mol
Exact Mass471.22
IUPAC Name[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3ccnc(-c4ccc(C(=O)NC5CC5)cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C31H26N4O/c32-19-20-6-8-23(9-7-20)30-26(21-4-2-1-3-5-21)18-27-28(35-30)16-17-33-29(27)22-10-12-24(13-11-22)31(36)34-25-14-15-25/h1-13,16-18,25H,14-15,19,32H2,(H,34,36)/p+1
InChIKeyUSEIYQHKNBQECB-UHFFFAOYSA-O
XLogP5.26
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[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
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721
[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-[3-phenyl-5-(4-phenylmethoxyphenyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 87232590
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597087
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The IUPAC name of [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium (CID 58524568) is [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The canonical SMILES for [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3ccnc(-c4ccc(C(=O)NC5CC5)cc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
The InChIKey is USEIYQHKNBQECB-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H26N4O/c32-19-20-6-8-23(9-7-20)30-26(21-4-2-1-3-5-21)18-27-28(35-30)16-17-33-29(27)22-10-12-24(13-11-22)31(36)34-25-14-15-25/h1-13,16-18,25H,14-15,19,32H2,(H,34,36)/p+1.
What are the key properties of [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium?
[4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium has a molecular weight of 471.58 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(cyclopropylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium is sourced from PubChem (CID 58524568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).