N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide

C20H24N6O2 — CID 56745853

About N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide (PubChem CID 56745853) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 56745853
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(Cc1ccncc1)Nc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1
• InChI: InChI=1S/C20H24N6O2/c1-13(2)20-25-18(26-28-20)12-23-19(27)16-4-5-17(22-11-16)24-14(3)10-15-6-8-21-9-7-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,24)(H,23,27)
• InChIKey: ZPFFTKIABLCGDV-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide (CID 56745853) is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide is CC(Cc1ccncc1)Nc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1.

What is the InChIKey of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is ZPFFTKIABLCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(2)20-25-18(26-28-20)12-23-19(27)16-4-5-17(22-11-16)24-14(3)10-15-6-8-21-9-7-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,24)(H,23,27).

What are the key properties of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide?

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 56745853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).