1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C29H26N6O4 — CID 137274643

IUPAC1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC(Cc2ccccc2)C(=O)/N=N/c2c(O)[nH]c3ccccc23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C29H26N6O4/c1-3-35-16-21(25(36)20-14-13-17(2)30-26(20)35)27(37)32-23(15-18-9-5-4-6-10-18)28(38)34-33-24-19-11-7-8-12-22(19)31-29(24)39/h4-14,16,23,31,39H,3,15H2,1-2H3,(H,32,37)/b34-33+
InChIKeyQLHQYRAFIQBPOL-JEIPZWNWSA-N
MW522.57 g/mol
LogP4.56
Rot. Bonds7

About 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 137274643) has the molecular formula C29H26N6O4 and a molecular weight of 522.57 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID137274643
Molecular FormulaC29H26N6O4
Molecular Weight522.57 g/mol
Exact Mass522.20
IUPAC Name1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC(Cc2ccccc2)C(=O)/N=N/c2c(O)[nH]c3ccccc23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C29H26N6O4/c1-3-35-16-21(25(36)20-14-13-17(2)30-26(20)35)27(37)32-23(15-18-9-5-4-6-10-18)28(38)34-33-24-19-11-7-8-12-22(19)31-29(24)39/h4-14,16,23,31,39H,3,15H2,1-2H3,(H,32,37)/b34-33+
InChIKeyQLHQYRAFIQBPOL-JEIPZWNWSA-N
XLogP4.56
TPSA141.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide 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

1-ethyl-N-[2-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-methylbutyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 137274641
methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate
CID 85081023
(2R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 39847119
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
N-(1-benzyl-2-hydroxyindol-3-yl)imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894645
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370
1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177420731
1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91640816
N-[(2S)-1-(benzotriazol-1-yl)-1-oxopropan-2-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 71482324
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 100907336
1-ethyl-7-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 53087106

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 137274643) is 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NC(Cc2ccccc2)C(=O)/N=N/c2c(O)[nH]c3ccccc23)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QLHQYRAFIQBPOL-JEIPZWNWSA-N. The full InChI is InChI=1S/C29H26N6O4/c1-3-35-16-21(25(36)20-14-13-17(2)30-26(20)35)27(37)32-23(15-18-9-5-4-6-10-18)28(38)34-33-24-19-11-7-8-12-22(19)31-29(24)39/h4-14,16,23,31,39H,3,15H2,1-2H3,(H,32,37)/b34-33+.
What are the key properties of 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137274643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).