tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate

C19H22N2O2 — CID 141105169

IUPACtert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-19(11-12-19)16-10-9-15(13-20-16)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyNFXYSIVBMWGAQX-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate

tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate (PubChem CID 141105169) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
PubChem CID141105169
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-19(11-12-19)16-10-9-15(13-20-16)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyNFXYSIVBMWGAQX-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]cyclopropyl]carbamate
CID 67516007
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
tert-butyl N-[1-[5-[4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
CID 11294811
[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid
CID 141281868
tert-butyl N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]carbamate
CID 71088336
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylphenyl)azetidine-1-carboxylate
CID 166608186
tert-butyl N-[1-[5-[4-[4-[2-[1-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclobutyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclobutyl]carbamate
CID 134421133
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67207846
tert-butyl N-[1-[methylsulfonyl-(4-phenylphenyl)carbamoyl]cyclopropyl]carbamate
CID 91150633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate (CID 141105169) is tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3ccccc3)cn2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate?
The InChIKey is NFXYSIVBMWGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-18(2,3)23-17(22)21-19(11-12-19)16-10-9-15(13-20-16)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate?
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate is sourced from PubChem (CID 141105169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).