lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide

C22H23LiN4O3-2 — CID 155700158

IUPAClithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-c1c[c-]c(N([C-]=O)C(C)(C)C)nc1.[CH3-].[Li+]
InChIInChI=1S/C21H20N4O3.CH3.Li/c1-14-5-6-15(20(27)23-18-9-10-28-24-18)11-17(14)16-7-8-19(22-12-16)25(13-26)21(2,3)4;;/h5-7,9-12H,1-4H3,(H,23,24,27);1H3;/q-2;-1;+1
InChIKeyXWFOLQDOCURTHQ-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.22
Rot. Bonds5

About lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide

lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide (PubChem CID 155700158) has the molecular formula C22H23LiN4O3-2 and a molecular weight of 398.39 g/mol. Its IUPAC name is lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide.

Molecular Properties

Compound Namelithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide
PubChem CID155700158
Molecular FormulaC22H23LiN4O3-2
Molecular Weight398.39 g/mol
Exact Mass398.19
IUPAC Namelithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-c1c[c-]c(N([C-]=O)C(C)(C)C)nc1.[CH3-].[Li+]
InChIInChI=1S/C21H20N4O3.CH3.Li/c1-14-5-6-15(20(27)23-18-9-10-28-24-18)11-17(14)16-7-8-19(22-12-16)25(13-26)21(2,3)4;;/h5-7,9-12H,1-4H3,(H,23,24,27);1H3;/q-2;-1;+1
InChIKeyXWFOLQDOCURTHQ-UHFFFAOYSA-N
XLogP1.22
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[2-[[3-(dimethylcarbamoyl)-5-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-2-pyridinyl]amino]-2-methylpropyl] acetate
CID 163227682
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
5-(1,2-oxazol-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62904120
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 58829376
3-hydroxy-4-methoxy-N-(1,2-oxazol-3-yl)benzamide
CID 79725967
N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 17217757
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243

Frequently Asked Questions

What is the IUPAC name of lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide?
The IUPAC name of lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide (CID 155700158) is lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide.
What is the SMILES notation for lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide?
The canonical SMILES for lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide is Cc1ccc(C(=O)Nc2ccon2)cc1-c1c[c-]c(N([C-]=O)C(C)(C)C)nc1.[CH3-].[Li+].
What is the InChIKey of lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide?
The InChIKey is XWFOLQDOCURTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3.CH3.Li/c1-14-5-6-15(20(27)23-18-9-10-28-24-18)11-17(14)16-7-8-19(22-12-16)25(13-26)21(2,3)4;;/h5-7,9-12H,1-4H3,(H,23,24,27);1H3;/q-2;-1;+1.
What are the key properties of lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide?
lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide has a molecular weight of 398.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-[2-[tert-butyl(oxomethyl)amino]-3H-pyridin-3-id-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide;carbanide is sourced from PubChem (CID 155700158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).