N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide

C21H26ClN3O3 — CID 139348461

IUPACN-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)c1cc(Cl)cc(CC(=O)Nc2ccnc(C(=O)NC(C)(C)C)c2)c1O
InChIInChI=1S/C21H26ClN3O3/c1-12(2)16-10-14(22)8-13(19(16)27)9-18(26)24-15-6-7-23-17(11-15)20(28)25-21(3,4)5/h6-8,10-12,27H,9H2,1-5H3,(H,25,28)(H,23,24,26)
InChIKeyJLTQNPOWLJHBFU-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.27
Rot. Bonds5

About N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139348461) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139348461
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)c1cc(Cl)cc(CC(=O)Nc2ccnc(C(=O)NC(C)(C)C)c2)c1O
InChIInChI=1S/C21H26ClN3O3/c1-12(2)16-10-14(22)8-13(19(16)27)9-18(26)24-15-6-7-23-17(11-15)20(28)25-21(3,4)5/h6-8,10-12,27H,9H2,1-5H3,(H,25,28)(H,23,24,26)
InChIKeyJLTQNPOWLJHBFU-UHFFFAOYSA-N
XLogP4.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
CID 139348119
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
N-[(5-chloro-2-hydroxyphenyl)methyl]-4-(2,2-dimethylpropanoylamino)pyridine-2-carboxamide
CID 155388867
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139348461) is N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide is CC(C)c1cc(Cl)cc(CC(=O)Nc2ccnc(C(=O)NC(C)(C)C)c2)c1O.
What is the InChIKey of N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is JLTQNPOWLJHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-12(2)16-10-14(22)8-13(19(16)27)9-18(26)24-15-6-7-23-17(11-15)20(28)25-21(3,4)5/h6-8,10-12,27H,9H2,1-5H3,(H,25,28)(H,23,24,26).
What are the key properties of N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139348461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).