[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate

C15H15N3O3 — CID 175276482

IUPAC[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate
SMILESCC(C)(C(=O)c1ccc(OC(N)=O)cn1)c1ccccn1
InChIInChI=1S/C15H15N3O3/c1-15(2,12-5-3-4-8-17-12)13(19)11-7-6-10(9-18-11)21-14(16)20/h3-9H,1-2H3,(H2,16,20)
InChIKeyUUFKMVJZHQUHKR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.09
Rot. Bonds4

About [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate

[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate (PubChem CID 175276482) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate
PubChem CID175276482
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate
SMILESCC(C)(C(=O)c1ccc(OC(N)=O)cn1)c1ccccn1
InChIInChI=1S/C15H15N3O3/c1-15(2,12-5-3-4-8-17-12)13(19)11-7-6-10(9-18-11)21-14(16)20/h3-9H,1-2H3,(H2,16,20)
InChIKeyUUFKMVJZHQUHKR-UHFFFAOYSA-N
XLogP2.09
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
CID 175276491
(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
CID 150452419
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
[6-(2-methylphenyl)-3-pyridinyl] carbamate
CID 175536018
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
pyridin-2-amine;3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 158875352

Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate?
The IUPAC name of [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate (CID 175276482) is [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate?
The canonical SMILES for [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate is CC(C)(C(=O)c1ccc(OC(N)=O)cn1)c1ccccn1.
What is the InChIKey of [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate?
The InChIKey is UUFKMVJZHQUHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-15(2,12-5-3-4-8-17-12)13(19)11-7-6-10(9-18-11)21-14(16)20/h3-9H,1-2H3,(H2,16,20).
What are the key properties of [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate?
[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate has a molecular weight of 285.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate is sourced from PubChem (CID 175276482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).