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

C19H20ClFN2O2 — CID 159870206

IUPACN-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(CC(=O)Cc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C19H20ClFN2O2/c1-19(2,3)23-18(25)17-11-13(6-7-22-17)9-14(24)8-12-4-5-15(20)16(21)10-12/h4-7,10-11H,8-9H2,1-3H3,(H,23,25)
InChIKeyNSGBRLJUWYMMDU-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.76
Rot. Bonds5

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

N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide (PubChem CID 159870206) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide
PubChem CID159870206
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC NameN-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(CC(=O)Cc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C19H20ClFN2O2/c1-19(2,3)23-18(25)17-11-13(6-7-22-17)9-14(24)8-12-4-5-15(20)16(21)10-12/h4-7,10-11H,8-9H2,1-3H3,(H,23,25)
InChIKeyNSGBRLJUWYMMDU-UHFFFAOYSA-N
XLogP3.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
CID 158103728
4-[3-(3-acetylphenyl)-2-oxopropyl]-N-tert-butylpyridine-2-carboxamide
CID 159654890
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
N-tert-butyl-4-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]pyridine-2-carboxamide
CID 157372721
N-tert-butyl-4-[3-[3-iodo-1-[(4-methoxyphenyl)methyl]indazol-6-yl]-2-oxopropyl]pyridine-2-carboxamide
CID 165110690
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844
N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide
CID 139347791
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[3-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 158980903
2-(4-chloro-3-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethanone
CID 107890599
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-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide (CID 159870206) is N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(CC(=O)Cc2ccc(Cl)c(F)c2)ccn1.
What is the InChIKey of N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide?
The InChIKey is NSGBRLJUWYMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-19(2,3)23-18(25)17-11-13(6-7-22-17)9-14(24)8-12-4-5-15(20)16(21)10-12/h4-7,10-11H,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide?
N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide has a molecular weight of 362.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(4-chloro-3-fluorophenyl)-2-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 159870206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).