[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate

C11H14N4O3 — CID 175225504

IUPAC[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate
SMILESCOC[C@@H](C)Nc1cc(OC(N)=O)ncc1C#N
InChIInChI=1S/C11H14N4O3/c1-7(6-17-2)15-9-3-10(18-11(13)16)14-5-8(9)4-12/h3,5,7H,6H2,1-2H3,(H2,13,16)(H,14,15)/t7-/m1/s1
InChIKeyUZWSVXPYBNPIEM-SSDOTTSWSA-N
MW250.26 g/mol
LogP0.86
Rot. Bonds5

About [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate

[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate (PubChem CID 175225504) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate
PubChem CID175225504
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate
SMILESCOC[C@@H](C)Nc1cc(OC(N)=O)ncc1C#N
InChIInChI=1S/C11H14N4O3/c1-7(6-17-2)15-9-3-10(18-11(13)16)14-5-8(9)4-12/h3,5,7H,6H2,1-2H3,(H2,13,16)(H,14,15)/t7-/m1/s1
InChIKeyUZWSVXPYBNPIEM-SSDOTTSWSA-N
XLogP0.86
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate?
The IUPAC name of [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate (CID 175225504) is [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate.
What is the SMILES notation for [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate?
The canonical SMILES for [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate is COC[C@@H](C)Nc1cc(OC(N)=O)ncc1C#N.
What is the InChIKey of [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate?
The InChIKey is UZWSVXPYBNPIEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7(6-17-2)15-9-3-10(18-11(13)16)14-5-8(9)4-12/h3,5,7H,6H2,1-2H3,(H2,13,16)(H,14,15)/t7-/m1/s1.
What are the key properties of [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate?
[5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate has a molecular weight of 250.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyano-4-[[(2R)-1-methoxypropan-2-yl]amino]-2-pyridinyl] carbamate is sourced from PubChem (CID 175225504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).