tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate

C16H23N5O2 — CID 103845203

IUPACtert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
SMILESCCn1nccc1CNc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H23N5O2/c1-5-21-13(8-9-19-21)11-17-12-6-7-14(18-10-12)20-15(22)23-16(2,3)4/h6-10,17H,5,11H2,1-4H3,(H,18,20,22)
InChIKeyRGKOADOJEDIFPF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate (PubChem CID 103845203) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
PubChem CID103845203
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
SMILESCCn1nccc1CNc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H23N5O2/c1-5-21-13(8-9-19-21)11-17-12-6-7-14(18-10-12)20-15(22)23-16(2,3)4/h6-10,17H,5,11H2,1-4H3,(H,18,20,22)
InChIKeyRGKOADOJEDIFPF-UHFFFAOYSA-N
XLogP3.26
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
N-[(2-ethylpyrazol-3-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 115762828
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate (CID 103845203) is tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate is CCn1nccc1CNc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is RGKOADOJEDIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-21-13(8-9-19-21)11-17-12-6-7-14(18-10-12)20-15(22)23-16(2,3)4/h6-10,17H,5,11H2,1-4H3,(H,18,20,22).
What are the key properties of tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 103845203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).