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

C22H25FN4O3 — CID 155588543

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C#N)cc2F)ccn1
InChIInChI=1S/C22H25FN4O3/c1-21(2,3)27-20(30)17-10-14(6-7-25-17)26-19(29)9-13-8-18(28)15(11-16(13)23)22(4,5)12-24/h6-8,10-11,28H,9H2,1-5H3,(H,27,30)(H,25,26,29)
InChIKeyYXWWNKDHVMYLRN-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.44
Rot. Bonds5

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

N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 155588543) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
PubChem CID155588543
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C#N)cc2F)ccn1
InChIInChI=1S/C22H25FN4O3/c1-21(2,3)27-20(30)17-10-14(6-7-25-17)26-19(29)9-13-8-18(28)15(11-16(13)23)22(4,5)12-24/h6-8,10-11,28H,9H2,1-5H3,(H,27,30)(H,25,26,29)
InChIKeyYXWWNKDHVMYLRN-UHFFFAOYSA-N
XLogP3.44
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide (CID 155588543) is N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)c(C(C)(C)C#N)cc2F)ccn1.
What is the InChIKey of N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is YXWWNKDHVMYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-21(2,3)27-20(30)17-10-14(6-7-25-17)26-19(29)9-13-8-18(28)15(11-16(13)23)22(4,5)12-24/h6-8,10-11,28H,9H2,1-5H3,(H,27,30)(H,25,26,29).
What are the key properties of N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155588543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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