N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide

C19H22FN3O3 — CID 139348177

IUPACN-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)Nc1ccnc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H22FN3O3/c1-19(2,3)23-18(25)15-11-14(7-8-21-15)22-17(24)10-12-9-13(20)5-6-16(12)26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyVQYBZCPFDUBHKN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.94
Rot. Bonds5

About N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139348177) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139348177
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)Nc1ccnc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H22FN3O3/c1-19(2,3)23-18(25)15-11-14(7-8-21-15)22-17(24)10-12-9-13(20)5-6-16(12)26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyVQYBZCPFDUBHKN-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
N-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212097
N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109216878
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-(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
N-tert-butyl-4-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]pyridine-2-carboxamide
CID 157372721
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347906
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139348177) is N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide is COc1ccc(F)cc1CC(=O)Nc1ccnc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is VQYBZCPFDUBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-19(2,3)23-18(25)15-11-14(7-8-21-15)22-17(24)10-12-9-13(20)5-6-16(12)26-4/h5-9,11H,10H2,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.94, 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-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139348177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).