tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate

C21H26F2N4O4 — CID 171767457

IUPACtert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(-n3cccc(OC(F)F)c3=O)cn2)C1
InChIInChI=1S/C21H26F2N4O4/c1-21(2,3)31-20(29)26-14-7-6-13(11-14)25-17-9-8-15(12-24-17)27-10-4-5-16(18(27)28)30-19(22)23/h4-5,8-10,12-14,19H,6-7,11H2,1-3H3,(H,24,25)(H,26,29)/t13-,14-/m0/s1
InChIKeyYVOIPMJWJJUXOE-KBPBESRZSA-N
MW436.46 g/mol
LogP3.69
Rot. Bonds6

About tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate (PubChem CID 171767457) has the molecular formula C21H26F2N4O4 and a molecular weight of 436.46 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate
PubChem CID171767457
Molecular FormulaC21H26F2N4O4
Molecular Weight436.46 g/mol
Exact Mass436.19
IUPAC Nametert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(-n3cccc(OC(F)F)c3=O)cn2)C1
InChIInChI=1S/C21H26F2N4O4/c1-21(2,3)31-20(29)26-14-7-6-13(11-14)25-17-9-8-15(12-24-17)27-10-4-5-16(18(27)28)30-19(22)23/h4-5,8-10,12-14,19H,6-7,11H2,1-3H3,(H,24,25)(H,26,29)/t13-,14-/m0/s1
InChIKeyYVOIPMJWJJUXOE-KBPBESRZSA-N
XLogP3.69
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(trifluoromethoxy)pyridin-2-one
CID 171100945
tert-butyl N-[(1S,3S)-3-[[5-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-2-pyridinyl]amino]cyclopentyl]carbamate
CID 177336254
sodium;1-[6-(cyclopentylamino)-3-pyridinyl]-3-methoxypyridin-2-one;5-(difluoromethoxy)-2H-pyrazin-2-ide
CID 171100958
tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
CID 107527251
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
CID 103719611
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
CID 169248595
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
CID 171100601

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate (CID 171767457) is tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ccc(-n3cccc(OC(F)F)c3=O)cn2)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate?
The InChIKey is YVOIPMJWJJUXOE-KBPBESRZSA-N. The full InChI is InChI=1S/C21H26F2N4O4/c1-21(2,3)31-20(29)26-14-7-6-13(11-14)25-17-9-8-15(12-24-17)27-10-4-5-16(18(27)28)30-19(22)23/h4-5,8-10,12-14,19H,6-7,11H2,1-3H3,(H,24,25)(H,26,29)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate has a molecular weight of 436.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-[[5-[3-(difluoromethoxy)-2-oxo-1-pyridinyl]-2-pyridinyl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 171767457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).