tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate

C17H23N5O3 — CID 51095358

IUPACtert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H23N5O3/c1-16(2,3)25-15(24)21-17(4,5)14(23)20-12-7-8-13(18-11-12)22-10-6-9-19-22/h6-11H,1-5H3,(H,20,23)(H,21,24)
InChIKeyYQBWYEVEWFUBCY-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate (PubChem CID 51095358) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate
PubChem CID51095358
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nametert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H23N5O3/c1-16(2,3)25-15(24)21-17(4,5)14(23)20-12-7-8-13(18-11-12)22-10-6-9-19-22/h6-11H,1-5H3,(H,20,23)(H,21,24)
InChIKeyYQBWYEVEWFUBCY-UHFFFAOYSA-N
XLogP2.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47153389
2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
CID 65168775
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
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N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
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3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
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(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate (CID 51095358) is tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate?
The InChIKey is YQBWYEVEWFUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-16(2,3)25-15(24)21-17(4,5)14(23)20-12-7-8-13(18-11-12)22-10-6-9-19-22/h6-11H,1-5H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 51095358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).