6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C17H24N6O3 — CID 56753867

IUPAC6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C(N)=O)C(C)C)nc2)no1
InChIInChI=1S/C17H24N6O3/c1-9(2)14(15(18)24)21-12-6-5-11(7-19-12)16(25)20-8-13-22-17(10(3)4)26-23-13/h5-7,9-10,14H,8H2,1-4H3,(H2,18,24)(H,19,21)(H,20,25)/t14-/m1/s1
InChIKeyIBZSTUFKGQLHNQ-CQSZACIVSA-N
MW360.42 g/mol
LogP1.44
Rot. Bonds8

About 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 56753867) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID56753867
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C(N)=O)C(C)C)nc2)no1
InChIInChI=1S/C17H24N6O3/c1-9(2)14(15(18)24)21-12-6-5-11(7-19-12)16(25)20-8-13-22-17(10(3)4)26-23-13/h5-7,9-10,14H,8H2,1-4H3,(H2,18,24)(H,19,21)(H,20,25)/t14-/m1/s1
InChIKeyIBZSTUFKGQLHNQ-CQSZACIVSA-N
XLogP1.44
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 56753867) is 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C(N)=O)C(C)C)nc2)no1.
What is the InChIKey of 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IBZSTUFKGQLHNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-9(2)14(15(18)24)21-12-6-5-11(7-19-12)16(25)20-8-13-22-17(10(3)4)26-23-13/h5-7,9-10,14H,8H2,1-4H3,(H2,18,24)(H,19,21)(H,20,25)/t14-/m1/s1.
What are the key properties of 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56753867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).