N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide

C26H17N3O5 — CID 171475643

IUPACN-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(=O)oc3ccc([N+](=O)[O-])cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H17N3O5/c30-25-15-23(22-14-21(29(32)33)11-12-24(22)34-25)27-19-7-9-20(10-8-19)28-26(31)18-6-5-16-3-1-2-4-17(16)13-18/h1-15,27H,(H,28,31)
InChIKeyGSFMPSQQTNZZIH-UHFFFAOYSA-N
MW451.44 g/mol
LogP5.85
Rot. Bonds5

About N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide

N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 171475643) has the molecular formula C26H17N3O5 and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide
PubChem CID171475643
Molecular FormulaC26H17N3O5
Molecular Weight451.44 g/mol
Exact Mass451.12
IUPAC NameN-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(=O)oc3ccc([N+](=O)[O-])cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H17N3O5/c30-25-15-23(22-14-21(29(32)33)11-12-24(22)34-25)27-19-7-9-20(10-8-19)28-26(31)18-6-5-16-3-1-2-4-17(16)13-18/h1-15,27H,(H,28,31)
InChIKeyGSFMPSQQTNZZIH-UHFFFAOYSA-N
XLogP5.85
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-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

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 15999780
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
4-nitro-N-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3331764
3-[(3,4-difluorobenzoyl)amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814793
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
4-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 6971912
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide (CID 171475643) is N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(Nc2cc(=O)oc3ccc([N+](=O)[O-])cc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is GSFMPSQQTNZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O5/c30-25-15-23(22-14-21(29(32)33)11-12-24(22)34-25)27-19-7-9-20(10-8-19)28-26(31)18-6-5-16-3-1-2-4-17(16)13-18/h1-15,27H,(H,28,31).
What are the key properties of N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide?
N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 171475643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).