tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

C30H33FN4O5 — CID 142680253

IUPACtert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C30H33FN4O5/c1-17-5-7-20(23(31)15-17)26(37)18-6-10-25(36)22(16-18)24-9-8-21(27(32)34-24)28(38)33-19-11-13-35(14-12-19)29(39)40-30(2,3)4/h5-10,15-16,19,36H,11-14H2,1-4H3,(H2,32,34)(H,33,38)
InChIKeyWGZUQUIMEHQYLV-UHFFFAOYSA-N
MW548.62 g/mol
LogP4.84
Rot. Bonds5

About tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 142680253) has the molecular formula C30H33FN4O5 and a molecular weight of 548.62 g/mol. Its IUPAC name is tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID142680253
Molecular FormulaC30H33FN4O5
Molecular Weight548.62 g/mol
Exact Mass548.24
IUPAC Nametert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C30H33FN4O5/c1-17-5-7-20(23(31)15-17)26(37)18-6-10-25(36)22(16-18)24-9-8-21(27(32)34-24)28(38)33-19-11-13-35(14-12-19)29(39)40-30(2,3)4/h5-10,15-16,19,36H,11-14H2,1-4H3,(H2,32,34)(H,33,38)
InChIKeyWGZUQUIMEHQYLV-UHFFFAOYSA-N
XLogP4.84
TPSA134.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

[3-[2-Amino-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135430742
[3-[2-Amino-6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135485566
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 135505832
[3-[2-Amino-6-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135525445
[3-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135539022
[3-[2-Amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135539060
[3-(2-Amino-6-piperazin-1-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135543735
[3-[2-Amino-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135543799
[3-[2-Amino-6-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135546203
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 136345601
3-[2-amino-3-cyano-6-(2-hydroxyphenyl)pyridin-4-yl]-N-(2-piperidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 136387164
2-amino-N-(1-ethylpiperidin-4-yl)-6-[5-(2-fluoro-N,3-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 136399964

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate (CID 142680253) is tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is Cc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(N)n3)c2)c(F)c1.
What is the InChIKey of tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WGZUQUIMEHQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O5/c1-17-5-7-20(23(31)15-17)26(37)18-6-10-25(36)22(16-18)24-9-8-21(27(32)34-24)28(38)33-19-11-13-35(14-12-19)29(39)40-30(2,3)4/h5-10,15-16,19,36H,11-14H2,1-4H3,(H2,32,34)(H,33,38).
What are the key properties of tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 548.62 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 142680253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).