N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C16H15N5O2 — CID 17101587

IUPACN-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C16H15N5O2/c1-11-3-2-4-13(18-11)19-14(22)5-6-15-20-16(21-23-15)12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19,22)
InChIKeyJPDVDQQEBISCEM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.41
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 17101587) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID17101587
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C16H15N5O2/c1-11-3-2-4-13(18-11)19-14(22)5-6-15-20-16(21-23-15)12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19,22)
InChIKeyJPDVDQQEBISCEM-UHFFFAOYSA-N
XLogP2.41
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 17101587) is N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JPDVDQQEBISCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-3-2-4-13(18-11)19-14(22)5-6-15-20-16(21-23-15)12-7-9-17-10-8-12/h2-4,7-10H,5-6H2,1H3,(H,18,19,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 17101587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).