N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

C26H27N5O3 — CID 4274519

IUPACN-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C26H27N5O3/c1-3-31-22-9-5-4-8-20(22)21-15-19(10-11-23(21)31)28-24(32)13-17(2)14-25(33)29-30-26(34)18-7-6-12-27-16-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyNENJCEHECNJKKX-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.03
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (PubChem CID 4274519) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
PubChem CID4274519
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NNC(=O)c3cccnc3)ccc21
InChIInChI=1S/C26H27N5O3/c1-3-31-22-9-5-4-8-20(22)21-15-19(10-11-23(21)31)28-24(32)13-17(2)14-25(33)29-30-26(34)18-7-6-12-27-16-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyNENJCEHECNJKKX-UHFFFAOYSA-N
XLogP4.03
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (CID 4274519) is N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)NNC(=O)c3cccnc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The InChIKey is NENJCEHECNJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-31-22-9-5-4-8-20(22)21-15-19(10-11-23(21)31)28-24(32)13-17(2)14-25(33)29-30-26(34)18-7-6-12-27-16-18/h4-12,15-17H,3,13-14H2,1-2H3,(H,28,32)(H,29,33)(H,30,34).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide has a molecular weight of 457.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is sourced from PubChem (CID 4274519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).