tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C16H22N4O3 — CID 175925140

IUPACtert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2cc(C(N)=O)c(N)cn2)C1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)20-6-4-5-10(9-20)13-7-11(14(18)21)12(17)8-19-13/h5,7-8H,4,6,9,17H2,1-3H3,(H2,18,21)
InChIKeyJYNLPJVHTCVFQT-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 175925140) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID175925140
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2cc(C(N)=O)c(N)cn2)C1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)20-6-4-5-10(9-20)13-7-11(14(18)21)12(17)8-19-13/h5,7-8H,4,6,9,17H2,1-3H3,(H2,18,21)
InChIKeyJYNLPJVHTCVFQT-UHFFFAOYSA-N
XLogP1.79
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-(5-nitro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 178084020
tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146855386
tert-butyl 5-(3-amino-2,6-dimethyl-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146284987
tert-butyl 4-(5-amino-4-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 175925127
tert-butyl 5-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169312691
tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085749
tert-butyl 5-(5H-cyclopenta[b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158814360
tert-butyl 4-(1,3-dimethylpyrazolo[4,3-c]pyridin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170639408
tert-butyl 3-[4-(hydroxymethyl)-2-pyridinyl]-2,5-dihydropyrrole-1-carboxylate
CID 166114163
tert-butyl 4-(5-bromo-4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90326965
tert-butyl 5-(5-carbamoyl-7-fluoro-1,2,3,4-tetrahydrocyclopenta[a]inden-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163980516
tert-butyl 3-pyrimidin-4-yl-2,5-dihydropyrrole-1-carboxylate
CID 139553316

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 175925140) is tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C(c2cc(C(N)=O)c(N)cn2)C1.
What is the InChIKey of tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JYNLPJVHTCVFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)20-6-4-5-10(9-20)13-7-11(14(18)21)12(17)8-19-13/h5,7-8H,4,6,9,17H2,1-3H3,(H2,18,21).
What are the key properties of tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 175925140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).