4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide

C19H18ClN3O3 — CID 139347764

IUPAC4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C19H18ClN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)10-12-9-13(20)5-6-16(12)24/h1,5-9,11,24H,10H2,2-3H3,(H,23,26)(H,21,22,25)
InChIKeyLSBYRABIJARLQT-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.76
Rot. Bonds5

About 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide (PubChem CID 139347764) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
PubChem CID139347764
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C19H18ClN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)10-12-9-13(20)5-6-16(12)24/h1,5-9,11,24H,10H2,2-3H3,(H,23,26)(H,21,22,25)
InChIKeyLSBYRABIJARLQT-UHFFFAOYSA-N
XLogP2.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-(3-chloropyridin-4-yl)-2-hydroxybenzamide
CID 46836254
US20200361871A1, Example 81.2
CID 139347709
US20200361871A1, Example 81.4
CID 139347719
US20200361871A1, Example 81.3
CID 139347759
US20200361871A1, Example 48
CID 139347769
US20200361871A1, Example 44
CID 139347772
US20200361871A1, Example 28
CID 139347784
US20200361871A1, Example 3.1a
CID 139347796
N-tert-Butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 139347812
US20200361871A1, Example 20
CID 139347934
US20200361871A1, Example 76
CID 139348036
US20200361871A1, Example 78.2
CID 139348040

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide (CID 139347764) is 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide is C#CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)ccn1.
What is the InChIKey of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide?
The InChIKey is LSBYRABIJARLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)10-12-9-13(20)5-6-16(12)24/h1,5-9,11,24H,10H2,2-3H3,(H,23,26)(H,21,22,25).
What are the key properties of 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide?
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139347764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).