N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide

C19H21ClN2O3 — CID 158103728

IUPACN-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(CC(=O)Cc2cccc(O)c2Cl)ccn1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(25)15-10-12(7-8-21-15)9-14(23)11-13-5-4-6-16(24)17(13)20/h4-8,10,24H,9,11H2,1-3H3,(H,22,25)
InChIKeyFPOQORHBTRFGHV-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.32
Rot. Bonds5

About N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide

N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide (PubChem CID 158103728) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
PubChem CID158103728
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(CC(=O)Cc2cccc(O)c2Cl)ccn1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(25)15-10-12(7-8-21-15)9-14(23)11-13-5-4-6-16(24)17(13)20/h4-8,10,24H,9,11H2,1-3H3,(H,22,25)
InChIKeyFPOQORHBTRFGHV-UHFFFAOYSA-N
XLogP3.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide
CID 159654890
N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide
CID 159870206
N-tert-butyl-4-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]pyridine-2-carboxamide
CID 157372721
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
4-[3-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 158980903
4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
CID 158981146
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844
N-tert-butyl-6-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]pyrimidine-4-carboxamide
CID 157394640
N-tert-butyl-4-[3-[3-iodo-1-[(4-methoxyphenyl)methyl]indazol-6-yl]-2-oxopropyl]pyridine-2-carboxamide
CID 165110690
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 161153250
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide (CID 158103728) is N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(CC(=O)Cc2cccc(O)c2Cl)ccn1.
What is the InChIKey of N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide?
The InChIKey is FPOQORHBTRFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)22-18(25)15-10-12(7-8-21-15)9-14(23)11-13-5-4-6-16(24)17(13)20/h4-8,10,24H,9,11H2,1-3H3,(H,22,25).
What are the key properties of N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide?
N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 158103728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).