tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid

C14H20N2O4 — CID 145262519

IUPACtert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CC2)cn1.O=CO
InChIInChI=1S/C13H18N2O2.CH2O2/c1-13(2,3)17-12(16)15-11-7-6-10(8-14-11)9-4-5-9;2-1-3/h6-9H,4-5H2,1-3H3,(H,14,15,16);1H,(H,2,3)
InChIKeyGCXOGKIBMGXEMP-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid

tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid (PubChem CID 145262519) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid.

Molecular Properties

Compound Nametert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
PubChem CID145262519
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C2CC2)cn1.O=CO
InChIInChI=1S/C13H18N2O2.CH2O2/c1-13(2,3)17-12(16)15-11-7-6-10(8-14-11)9-4-5-9;2-1-3/h6-9H,4-5H2,1-3H3,(H,14,15,16);1H,(H,2,3)
InChIKeyGCXOGKIBMGXEMP-UHFFFAOYSA-N
XLogP3.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

potassium;tert-butyl N-(5-bromo-2-pyridinyl)carbamate;tert-butyl N-[5-(oxan-4-yl)-2-pyridinyl]carbamate;difluoro(oxan-4-yl)borane;fluoride
CID 159363997
tert-butyl N-(5-morpholin-3-yl-2-pyridinyl)carbamate
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tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
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tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
CID 66694551
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid?
The IUPAC name of tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid (CID 145262519) is tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid.
What is the SMILES notation for tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid?
The canonical SMILES for tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid is CC(C)(C)OC(=O)Nc1ccc(C2CC2)cn1.O=CO.
What is the InChIKey of tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid?
The InChIKey is GCXOGKIBMGXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.CH2O2/c1-13(2,3)17-12(16)15-11-7-6-10(8-14-11)9-4-5-9;2-1-3/h6-9H,4-5H2,1-3H3,(H,14,15,16);1H,(H,2,3).
What are the key properties of tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid?
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid has a molecular weight of 280.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid is sourced from PubChem (CID 145262519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).