tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate

C15H19N5O4 — CID 175520173

IUPACtert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate
SMILESCn1ncc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1OC(N)=O
InChIInChI=1S/C15H19N5O4/c1-15(2,3)24-14(22)19-9-5-6-11(17-7-9)10-8-18-20(4)12(10)23-13(16)21/h5-8H,1-4H3,(H2,16,21)(H,19,22)
InChIKeyNDLYOCAGAUFTCB-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate

tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate (PubChem CID 175520173) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate
PubChem CID175520173
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Nametert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate
SMILESCn1ncc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1OC(N)=O
InChIInChI=1S/C15H19N5O4/c1-15(2,3)24-14(22)19-9-5-6-11(17-7-9)10-8-18-20(4)12(10)23-13(16)21/h5-8H,1-4H3,(H2,16,21)(H,19,22)
InChIKeyNDLYOCAGAUFTCB-UHFFFAOYSA-N
XLogP2.29
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
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tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
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(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[6-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate
CID 162377995
tert-butyl N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]carbamate
CID 86678952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate (CID 175520173) is tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate is Cn1ncc(-c2ccc(NC(=O)OC(C)(C)C)cn2)c1OC(N)=O.
What is the InChIKey of tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate?
The InChIKey is NDLYOCAGAUFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-15(2,3)24-14(22)19-9-5-6-11(17-7-9)10-8-18-20(4)12(10)23-13(16)21/h5-8H,1-4H3,(H2,16,21)(H,19,22).
What are the key properties of tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate has a molecular weight of 333.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 175520173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).