4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide

C30H28N4O4 — CID 145216655

IUPAC4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(N)c1.Nc1c(O)c(C(=O)Nc2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C21H16N2O2.C9H12N2O2/c22-19-16-10-4-2-7-14(16)12-17(20(19)24)21(25)23-18-11-5-8-13-6-1-3-9-15(13)18;1-11-9(12)6-3-4-8(13-2)7(10)5-6/h1-12,24H,22H2,(H,23,25);3-5H,10H2,1-2H3,(H,11,12)
InChIKeyRGNONGYUIZISHU-UHFFFAOYSA-N
MW508.58 g/mol
LogP5.17
Rot. Bonds4

About 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide

4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide (PubChem CID 145216655) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
PubChem CID145216655
Molecular FormulaC30H28N4O4
Molecular Weight508.58 g/mol
Exact Mass508.21
IUPAC Name4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(N)c1.Nc1c(O)c(C(=O)Nc2cccc3ccccc23)cc2ccccc12
InChIInChI=1S/C21H16N2O2.C9H12N2O2/c22-19-16-10-4-2-7-14(16)12-17(20(19)24)21(25)23-18-11-5-8-13-6-1-3-9-15(13)18;1-11-9(12)6-3-4-8(13-2)7(10)5-6/h1-12,24H,22H2,(H,23,25);3-5H,10H2,1-2H3,(H,11,12)
InChIKeyRGNONGYUIZISHU-UHFFFAOYSA-N
XLogP5.17
TPSA139.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 55.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
CID 145216667
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
CID 143054180
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
CID 16788313
3-hydroxy-4-[[2-methoxy-4-(methylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 137293433

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide (CID 145216655) is 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(N)c1.Nc1c(O)c(C(=O)Nc2cccc3ccccc23)cc2ccccc12.
What is the InChIKey of 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide?
The InChIKey is RGNONGYUIZISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2.C9H12N2O2/c22-19-16-10-4-2-7-14(16)12-17(20(19)24)21(25)23-18-11-5-8-13-6-1-3-9-15(13)18;1-11-9(12)6-3-4-8(13-2)7(10)5-6/h1-12,24H,22H2,(H,23,25);3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide?
4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide has a molecular weight of 508.58 g/mol, XLogP of 5.17, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 145216655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).