N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

C25H22N6O5 — CID 1020987

IUPACN-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H22N6O5/c1-16-5-3-4-6-22(16)24(32)27-19-9-7-18(8-10-19)17(2)28-29-25(33)23-12-11-21(36-23)15-30-14-20(13-26-30)31(34)35/h3-14H,15H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyWQHWTWGOHWQWHR-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.15
Rot. Bonds8

About N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 1020987) has the molecular formula C25H22N6O5 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID1020987
Molecular FormulaC25H22N6O5
Molecular Weight486.49 g/mol
Exact Mass486.17
IUPAC NameN-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H22N6O5/c1-16-5-3-4-6-22(16)24(32)27-19-9-7-18(8-10-19)17(2)28-29-25(33)23-12-11-21(36-23)15-30-14-20(13-26-30)31(34)35/h3-14H,15H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyWQHWTWGOHWQWHR-UHFFFAOYSA-N
XLogP4.15
TPSA144.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-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-[1-[3-(2-methylpropanoylamino)phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 1012419
N-[4-[N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylfuran-3-carboxamide
CID 3532118
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6341777
N-(2-benzoylphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 3404959
5-[(4-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
N-(3-methoxy-5-nitrophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459182
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459133
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460961
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460915
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 135533634
N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 124849162
5-[(4-nitropyrazol-1-yl)methyl]-N-[(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1225400

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 1020987) is N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is CC(=NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is WQHWTWGOHWQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O5/c1-16-5-3-4-6-22(16)24(32)27-19-9-7-18(8-10-19)17(2)28-29-25(33)23-12-11-21(36-23)15-30-14-20(13-26-30)31(34)35/h3-14H,15H2,1-2H3,(H,27,32)(H,29,33).
What are the key properties of N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-methylbenzoyl)amino]phenyl]ethylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1020987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).