N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide

C20H17N5O3S — CID 37346068

IUPACN'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1cc(CSc2ncccc2C(=O)NNC(=O)c2c[nH]c3ccccc23)no1
InChIInChI=1S/C20H17N5O3S/c1-12-9-13(25-28-12)11-29-20-15(6-4-8-21-20)18(26)23-24-19(27)16-10-22-17-7-3-2-5-14(16)17/h2-10,22H,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyLFBKJJROKIKYHL-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.23
Rot. Bonds5

About N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide

N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide (PubChem CID 37346068) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
PubChem CID37346068
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1cc(CSc2ncccc2C(=O)NNC(=O)c2c[nH]c3ccccc23)no1
InChIInChI=1S/C20H17N5O3S/c1-12-9-13(25-28-12)11-29-20-15(6-4-8-21-20)18(26)23-24-19(27)16-10-22-17-7-3-2-5-14(16)17/h2-10,22H,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyLFBKJJROKIKYHL-UHFFFAOYSA-N
XLogP3.23
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide with MolForge

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide
CID 55527463
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 24644217
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 38468487
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
CID 43047504
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide (CID 37346068) is N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide is Cc1cc(CSc2ncccc2C(=O)NNC(=O)c2c[nH]c3ccccc23)no1.
What is the InChIKey of N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide?
The InChIKey is LFBKJJROKIKYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12-9-13(25-28-12)11-29-20-15(6-4-8-21-20)18(26)23-24-19(27)16-10-22-17-7-3-2-5-14(16)17/h2-10,22H,11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide?
N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide has a molecular weight of 407.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 37346068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).