(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide

C13H17N5O2 — CID 124852156

IUPAC(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
SMILESCc1nnc(CN(C)[C@@H](C)C(=O)Nc2ccccn2)o1
InChIInChI=1S/C13H17N5O2/c1-9(13(19)15-11-6-4-5-7-14-11)18(3)8-12-17-16-10(2)20-12/h4-7,9H,8H2,1-3H3,(H,14,15,19)/t9-/m0/s1
InChIKeyUHVSWMGIQNQALU-VIFPVBQESA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds5

About (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide

(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide (PubChem CID 124852156) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
PubChem CID124852156
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
SMILESCc1nnc(CN(C)[C@@H](C)C(=O)Nc2ccccn2)o1
InChIInChI=1S/C13H17N5O2/c1-9(13(19)15-11-6-4-5-7-14-11)18(3)8-12-17-16-10(2)20-12/h4-7,9H,8H2,1-3H3,(H,14,15,19)/t9-/m0/s1
InChIKeyUHVSWMGIQNQALU-VIFPVBQESA-N
XLogP1.23
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide (CID 124852156) is (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide is Cc1nnc(CN(C)[C@@H](C)C(=O)Nc2ccccn2)o1.
What is the InChIKey of (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide?
The InChIKey is UHVSWMGIQNQALU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(13(19)15-11-6-4-5-7-14-11)18(3)8-12-17-16-10(2)20-12/h4-7,9H,8H2,1-3H3,(H,14,15,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide?
(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 124852156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).