tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate

C15H21N5O2 — CID 156562576

IUPACtert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate
SMILESCc1c(N)cnc(NC(=O)OC(C)(C)C)c1-c1cnn(C)c1
InChIInChI=1S/C15H21N5O2/c1-9-11(16)7-17-13(19-14(21)22-15(2,3)4)12(9)10-6-18-20(5)8-10/h6-8H,16H2,1-5H3,(H,17,19,21)
InChIKeyVNIDJGCSBNXJIR-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.72
Rot. Bonds2

About tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate

tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate (PubChem CID 156562576) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate
PubChem CID156562576
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate
SMILESCc1c(N)cnc(NC(=O)OC(C)(C)C)c1-c1cnn(C)c1
InChIInChI=1S/C15H21N5O2/c1-9-11(16)7-17-13(19-14(21)22-15(2,3)4)12(9)10-6-18-20(5)8-10/h6-8H,16H2,1-5H3,(H,17,19,21)
InChIKeyVNIDJGCSBNXJIR-UHFFFAOYSA-N
XLogP2.72
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 156539845
ethyl (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enoate
CID 140772778
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
methyl (2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-(1-methylpyrazol-4-yl)benzoyl]amino]butanoate
CID 71045175
tert-butyl N-[4-(1-methylpyrazol-4-yl)-2-nitrophenyl]carbamate
CID 90436708
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 99839688
tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 97179370
methyl (2S)-3-[5-fluoro-2-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172543652
methyl (2S)-3-[5-chloro-2-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172543615
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate (CID 156562576) is tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate is Cc1c(N)cnc(NC(=O)OC(C)(C)C)c1-c1cnn(C)c1.
What is the InChIKey of tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate?
The InChIKey is VNIDJGCSBNXJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-11(16)7-17-13(19-14(21)22-15(2,3)4)12(9)10-6-18-20(5)8-10/h6-8H,16H2,1-5H3,(H,17,19,21).
What are the key properties of tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate?
tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate has a molecular weight of 303.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-4-methyl-3-(1-methylpyrazol-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 156562576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).