N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C19H19N7O2 — CID 53045799

About N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 53045799) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
• PubChem CID: 53045799
• Molecular Formula: C19H19N7O2
• Molecular Weight: 377.41 g/mol
• Exact Mass: 377.16
• IUPAC Name: N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
• SMILES: Cc1cc(NCCC(=O)NCc2ccco2)n2nc(-c3cccnc3)nc2n1
• InChI: InChI=1S/C19H19N7O2/c1-13-10-16(21-8-6-17(27)22-12-15-5-3-9-28-15)26-19(23-13)24-18(25-26)14-4-2-7-20-11-14/h2-5,7,9-11,21H,6,8,12H2,1H3,(H,22,27)
• InChIKey: YPKQZMHTKHCMEC-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 110.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.41
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The IUPAC name of N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 53045799) is N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is Cc1cc(NCCC(=O)NCc2ccco2)n2nc(-c3cccnc3)nc2n1.

What is the InChIKey of N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

The InChIKey is YPKQZMHTKHCMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-13-10-16(21-8-6-17(27)22-12-15-5-3-9-28-15)26-19(23-13)24-18(25-26)14-4-2-7-20-11-14/h2-5,7,9-11,21H,6,8,12H2,1H3,(H,22,27).

What are the key properties of N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?

N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 377.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 53045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).