N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide

C23H22N4O4 — CID 66639673

IUPACN-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide
SMILESCN1c2ccccc2C2CC(NC(=O)c3ccoc3)CCN2c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H22N4O4/c1-25-19-5-3-2-4-18(19)21-12-16(24-23(28)15-9-11-31-14-15)8-10-26(21)20-7-6-17(27(29)30)13-22(20)25/h2-7,9,11,13-14,16,21H,8,10,12H2,1H3,(H,24,28)
InChIKeyHTZKSIOMXAZVJM-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.41
Rot. Bonds3

About N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide

N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide (PubChem CID 66639673) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide
PubChem CID66639673
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide
SMILESCN1c2ccccc2C2CC(NC(=O)c3ccoc3)CCN2c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C23H22N4O4/c1-25-19-5-3-2-4-18(19)21-12-16(24-23(28)15-9-11-31-14-15)8-10-26(21)20-7-6-17(27(29)30)13-22(20)25/h2-7,9,11,13-14,16,21H,8,10,12H2,1H3,(H,24,28)
InChIKeyHTZKSIOMXAZVJM-UHFFFAOYSA-N
XLogP4.41
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-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

N-[(5R,7R)-14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)acetamide
CID 87086517
(5S,7R)-14-methyl-N-propyl-5-[(2,2,2-trifluoroacetyl)amino]-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-17-carboxamide
CID 87086461
2,2,2-trifluoro-N-[(5S,7R)-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]acetamide
CID 87086485
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
N-[1-[(1S)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]furan-3-carboxamide
CID 95584264
2,2,2-trifluoro-N-(19-formyl-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl)acetamide
CID 87086602
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-(4-oxocyclohexyl)furan-3-carboxamide
CID 43652764

Frequently Asked Questions

What is the IUPAC name of N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide?
The IUPAC name of N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide (CID 66639673) is N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide.
What is the SMILES notation for N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide?
The canonical SMILES for N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide is CN1c2ccccc2C2CC(NC(=O)c3ccoc3)CCN2c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide?
The InChIKey is HTZKSIOMXAZVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-25-19-5-3-2-4-18(19)21-12-16(24-23(28)15-9-11-31-14-15)8-10-26(21)20-7-6-17(27(29)30)13-22(20)25/h2-7,9,11,13-14,16,21H,8,10,12H2,1H3,(H,24,28).
What are the key properties of N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide?
N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-methyl-17-nitro-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)furan-3-carboxamide is sourced from PubChem (CID 66639673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).