[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate

C17H22F2N4O3 — CID 70001270

IUPAC[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CCCc1ccc(N)cn1)C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C17H22F2N4O3/c18-15(19)11-6-8-23(9-7-11)16(24)14(26-17(21)25)3-1-2-13-5-4-12(20)10-22-13/h4-5,10,14H,1-3,6-9,20H2,(H2,21,25)/t14-/m0/s1
InChIKeyAXHDZZATEICJDF-AWEZNQCLSA-N
MW368.38 g/mol
LogP2.22
Rot. Bonds6

About [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate

[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate (PubChem CID 70001270) has the molecular formula C17H22F2N4O3 and a molecular weight of 368.38 g/mol. Its IUPAC name is [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate
PubChem CID70001270
Molecular FormulaC17H22F2N4O3
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CCCc1ccc(N)cn1)C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C17H22F2N4O3/c18-15(19)11-6-8-23(9-7-11)16(24)14(26-17(21)25)3-1-2-13-5-4-12(20)10-22-13/h4-5,10,14H,1-3,6-9,20H2,(H2,21,25)/t14-/m0/s1
InChIKeyAXHDZZATEICJDF-AWEZNQCLSA-N
XLogP2.22
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate?
The IUPAC name of [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate (CID 70001270) is [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate is NC(=O)O[C@@H](CCCc1ccc(N)cn1)C(=O)N1CCC(=C(F)F)CC1.
What is the InChIKey of [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate?
The InChIKey is AXHDZZATEICJDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22F2N4O3/c18-15(19)11-6-8-23(9-7-11)16(24)14(26-17(21)25)3-1-2-13-5-4-12(20)10-22-13/h4-5,10,14H,1-3,6-9,20H2,(H2,21,25)/t14-/m0/s1.
What are the key properties of [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate?
[(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate has a molecular weight of 368.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(5-amino-2-pyridinyl)-1-[4-(difluoromethylidene)piperidin-1-yl]-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 70001270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).