N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide

C32H23N5O5 — CID 126044170

About N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 126044170) has the molecular formula C32H23N5O5 and a molecular weight of 557.57 g/mol. Its IUPAC name is N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide
• PubChem CID: 126044170
• Molecular Formula: C32H23N5O5
• Molecular Weight: 557.57 g/mol
• Exact Mass: 557.17
• IUPAC Name: N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide
• SMILES: Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccncc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1
• InChI: InChI=1S/C32H23N5O5/c1-18-10-11-24(25(16-18)37(41)42)36-30(39)27-26-20-6-2-4-8-22(20)32(28(27)31(36)40,23-9-5-3-7-21(23)26)17-34-35-29(38)19-12-14-33-15-13-19/h2-17,26-28H,1H3,(H,35,38)/b34-17-/t26?,27-,28+,32?/m1/s1
• InChIKey: YWHBACABXWSYCU-MASGQBSNSA-N
• XLogP: 4.26
• TPSA: 134.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.57
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide?

The IUPAC name of N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide (CID 126044170) is N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide.

What is the SMILES notation for N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide?

The canonical SMILES for N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide is Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccncc5)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1.

What is the InChIKey of N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide?

The InChIKey is YWHBACABXWSYCU-MASGQBSNSA-N. The full InChI is InChI=1S/C32H23N5O5/c1-18-10-11-24(25(16-18)37(41)42)36-30(39)27-26-20-6-2-4-8-22(20)32(28(27)31(36)40,23-9-5-3-7-21(23)26)17-34-35-29(38)19-12-14-33-15-13-19/h2-17,26-28H,1H3,(H,35,38)/b34-17-/t26?,27-,28+,32?/m1/s1.

What are the key properties of N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide?

N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 557.57 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(15R,19R)-17-(4-methyl-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 126044170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).