ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H26N4O — CID 144771657

About ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144771657) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 144771657
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: C=C(C)NCc1ccc(C)c(NC(=O)c2cnc3ccccn23)c1.CC
• InChI: InChI=1S/C19H20N4O.C2H6/c1-13(2)20-11-15-8-7-14(3)16(10-15)22-19(24)17-12-21-18-6-4-5-9-23(17)18;1-2/h4-10,12,20H,1,11H2,2-3H3,(H,22,24);1-2H3
• InChIKey: ZHTOSLVIAYWCNG-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 58.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 144771657) is ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is C=C(C)NCc1ccc(C)c(NC(=O)c2cnc3ccccn23)c1.CC.

What is the InChIKey of ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZHTOSLVIAYWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C2H6/c1-13(2)20-11-15-8-7-14(3)16(10-15)22-19(24)17-12-21-18-6-4-5-9-23(17)18;1-2/h4-10,12,20H,1,11H2,2-3H3,(H,22,24);1-2H3.

What are the key properties of ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144771657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).