[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

C21H28N4O5S — CID 121347095

IUPAC[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCc1nc(C(C)(NC(=O)Oc2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1
InChIInChI=1S/C21H28N4O5S/c1-12(2)11-31(27,28)18-16(14-5-6-14)9-10-17(23-18)29-20(26)24-21(4,15-7-8-15)19-22-13(3)30-25-19/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyKKFMXEIGRWTTQI-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.49
Rot. Bonds8

About [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate

[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (PubChem CID 121347095) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
PubChem CID121347095
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
SMILESCc1nc(C(C)(NC(=O)Oc2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1
InChIInChI=1S/C21H28N4O5S/c1-12(2)11-31(27,28)18-16(14-5-6-14)9-10-17(23-18)29-20(26)24-21(4,15-7-8-15)19-22-13(3)30-25-19/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyKKFMXEIGRWTTQI-UHFFFAOYSA-N
XLogP3.49
TPSA124.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
CID 71105770
[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 121347227
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 71105707
[5-cyclopentyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347302
5-cyclopropyl-N-[2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
CID 78010190
4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
CID 129216412
2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
CID 141352120
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347261
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347109
4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
CID 129216377
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
CID 121347296

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate (CID 121347095) is [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is Cc1nc(C(C)(NC(=O)Oc2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1.
What is the InChIKey of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
The InChIKey is KKFMXEIGRWTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-12(2)11-31(27,28)18-16(14-5-6-14)9-10-17(23-18)29-20(26)24-21(4,15-7-8-15)19-22-13(3)30-25-19/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26).
What are the key properties of [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate?
[5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate has a molecular weight of 448.55 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(2-methylpropylsulfonyl)-2-pyridinyl] N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 121347095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).