N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide

C18H19ClFN3O3 — CID 139347784

IUPACN-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)c(F)cn1
InChIInChI=1S/C18H19ClFN3O3/c1-18(2,3)23-17(26)14-8-13(12(20)9-21-14)22-16(25)7-10-6-11(19)4-5-15(10)24/h4-6,8-9,24H,7H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyCEPVGHGTXVKIAM-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.29
Rot. Bonds4

About N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide

N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide (PubChem CID 139347784) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide
PubChem CID139347784
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC NameN-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)c(F)cn1
InChIInChI=1S/C18H19ClFN3O3/c1-18(2,3)23-17(26)14-8-13(12(20)9-21-14)22-16(25)7-10-6-11(19)4-5-15(10)24/h4-6,8-9,24H,7H2,1-3H3,(H,23,26)(H,21,22,25)
InChIKeyCEPVGHGTXVKIAM-UHFFFAOYSA-N
XLogP3.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide with MolForge

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Related Compounds

US20200361871A1, Example 36
CID 139347764
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 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 3.13b
CID 139347958
US20200361871A1, Example 76
CID 139348036

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide (CID 139347784) is N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(Cl)ccc2O)c(F)cn1.
What is the InChIKey of N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide?
The InChIKey is CEPVGHGTXVKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-18(2,3)23-17(26)14-8-13(12(20)9-21-14)22-16(25)7-10-6-11(19)4-5-15(10)24/h4-6,8-9,24H,7H2,1-3H3,(H,23,26)(H,21,22,25).
What are the key properties of N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide?
N-tert-butyl-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 3.29, 4 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-hydroxyphenyl)acetyl]amino]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 139347784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).