2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide

C22H25N5O3 — CID 56550479

IUPAC2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(CC(N)=O)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)17-13-20(27(26-17)19-6-4-5-11-24-19)25-21(29)14-30-16-9-7-15(8-10-16)12-18(23)28/h4-11,13H,12,14H2,1-3H3,(H2,23,28)(H,25,29)
InChIKeyAVRCKVFHAARRER-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide

2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide (PubChem CID 56550479) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
PubChem CID56550479
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(CC(N)=O)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)17-13-20(27(26-17)19-6-4-5-11-24-19)25-21(29)14-30-16-9-7-15(8-10-16)12-18(23)28/h4-11,13H,12,14H2,1-3H3,(H2,23,28)(H,25,29)
InChIKeyAVRCKVFHAARRER-UHFFFAOYSA-N
XLogP2.61
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56531740
N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56531427
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
CID 56531553
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
CID 56531767
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 56551145
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46483979
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide (CID 56550479) is 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(CC(N)=O)cc2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is AVRCKVFHAARRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2,3)17-13-20(27(26-17)19-6-4-5-11-24-19)25-21(29)14-30-16-9-7-15(8-10-16)12-18(23)28/h4-11,13H,12,14H2,1-3H3,(H2,23,28)(H,25,29).
What are the key properties of 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 56550479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).