2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide

C17H19BrN4O2 — CID 118110256

IUPAC2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C17H19BrN4O2/c1-17(2,3)11-6-4-10(5-7-11)15(23)21-22-16(24)13-8-12(18)9-20-14(13)19/h4-9H,1-3H3,(H2,19,20)(H,21,23)(H,22,24)
InChIKeySHONAMBGTVVXKL-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide

2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide (PubChem CID 118110256) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
PubChem CID118110256
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C17H19BrN4O2/c1-17(2,3)11-6-4-10(5-7-11)15(23)21-22-16(24)13-8-12(18)9-20-14(13)19/h4-9H,1-3H3,(H2,19,20)(H,21,23)(H,22,24)
InChIKeySHONAMBGTVVXKL-UHFFFAOYSA-N
XLogP2.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
CID 118110158
2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62151819
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
tert-butyl N-[amino-[(2-amino-5-bromopyridine-3-carbonyl)amino]methylidene]carbamate
CID 123430572
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide (CID 118110256) is 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(Br)cnc2N)cc1.
What is the InChIKey of 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide?
The InChIKey is SHONAMBGTVVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-17(2,3)11-6-4-10(5-7-11)15(23)21-22-16(24)13-8-12(18)9-20-14(13)19/h4-9H,1-3H3,(H2,19,20)(H,21,23)(H,22,24).
What are the key properties of 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide?
2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide has a molecular weight of 391.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N'-(4-tert-butylbenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 118110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).