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

C18H20ClN3O3 — CID 139348454

IUPACN-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2O)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(25)14-10-13(6-7-20-14)21-16(24)8-11-4-5-12(19)9-15(11)23/h4-7,9-10,23H,8H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyNJUKDBGNUAQNFQ-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.15
Rot. Bonds4

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

N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139348454) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139348454
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2O)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(25)14-10-13(6-7-20-14)21-16(24)8-11-4-5-12(19)9-15(11)23/h4-7,9-10,23H,8H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyNJUKDBGNUAQNFQ-UHFFFAOYSA-N
XLogP3.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348461
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
4-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 139348232
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-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139348454) is N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2O)ccn1.
What is the InChIKey of N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is NJUKDBGNUAQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(25)14-10-13(6-7-20-14)21-16(24)8-11-4-5-12(19)9-15(11)23/h4-7,9-10,23H,8H2,1-3H3,(H,22,25)(H,20,21,24).
What are the key properties of N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.15, 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-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139348454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).