N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine

C35H43FN6O3 — CID 144862289

About N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine

N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine (PubChem CID 144862289) has the molecular formula C35H43FN6O3 and a molecular weight of 614.77 g/mol. Its IUPAC name is N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine.

Molecular Properties

• Compound Name: N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine
• PubChem CID: 144862289
• Molecular Formula: C35H43FN6O3
• Molecular Weight: 614.77 g/mol
• Exact Mass: 614.34
• IUPAC Name: N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine
• SMILES: C=CNN.CCC[C@@H](CCNC(=O)c1cn2c3c(c(N4CC[C@@H](C)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2)N(C)C
• InChI: InChI=1S/C33H37FN4O3.C2H6N2/c1-5-8-23(36(3)4)11-13-35-33(40)25-19-38-27-15-21-9-6-7-10-22(21)16-28(27)41-32-29(38)24(31(25)39)17-26(34)30(32)37-14-12-20(2)18-37;1-2-4-3/h6-7,9-10,15-17,19-20,23H,5,8,11-14,18H2,1-4H3,(H,35,40);2,4H,1,3H2/t20-,23+;/m1./s1
• InChIKey: OCLVJHOGCNTOHD-ZOLWKPHLSA-N
• XLogP: 5.68
• TPSA: 104.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.77
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine?

The IUPAC name of N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine (CID 144862289) is N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine.

What is the SMILES notation for N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine?

The canonical SMILES for N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine is C=CNN.CCC[C@@H](CCNC(=O)c1cn2c3c(c(N4CC[C@@H](C)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2)N(C)C.

What is the InChIKey of N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine?

The InChIKey is OCLVJHOGCNTOHD-ZOLWKPHLSA-N. The full InChI is InChI=1S/C33H37FN4O3.C2H6N2/c1-5-8-23(36(3)4)11-13-35-33(40)25-19-38-27-15-21-9-6-7-10-22(21)16-28(27)41-32-29(38)24(31(25)39)17-26(34)30(32)37-14-12-20(2)18-37;1-2-4-3/h6-7,9-10,15-17,19-20,23H,5,8,11-14,18H2,1-4H3,(H,35,40);2,4H,1,3H2/t20-,23+;/m1./s1.

What are the key properties of N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine?

N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine has a molecular weight of 614.77 g/mol, XLogP of 5.68, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-(dimethylamino)hexyl]-15-fluoro-14-[(3R)-3-methylpyrrolidin-1-yl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;ethenylhydrazine is sourced from PubChem (CID 144862289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).