4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide

C20H22N4O — CID 2740716

IUPAC4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ncccc2-n2cccc2)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)19(25)23-22-18-17(7-6-12-21-18)24-13-4-5-14-24/h4-14H,1-3H3,(H,21,22)(H,23,25)
InChIKeyPUKTXMSCHKSWGW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.93
Rot. Bonds4

About 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide

4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide (PubChem CID 2740716) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide
PubChem CID2740716
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ncccc2-n2cccc2)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)19(25)23-22-18-17(7-6-12-21-18)24-13-4-5-14-24/h4-14H,1-3H3,(H,21,22)(H,23,25)
InChIKeyPUKTXMSCHKSWGW-UHFFFAOYSA-N
XLogP3.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide (CID 2740716) is 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNc2ncccc2-n2cccc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide?
The InChIKey is PUKTXMSCHKSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)19(25)23-22-18-17(7-6-12-21-18)24-13-4-5-14-24/h4-14H,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide?
4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide has a molecular weight of 334.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(3-pyrrol-1-yl-2-pyridinyl)benzohydrazide is sourced from PubChem (CID 2740716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).