N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C21H33N5O2 — CID 135119559

About N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 135119559) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• PubChem CID: 135119559
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• SMILES: CCc1oc(C(=O)N(CCN(C)C)Cc2nc[nH]c2C)cc1CN1CCCC1
• InChI: InChI=1S/C21H33N5O2/c1-5-19-17(13-25-8-6-7-9-25)12-20(28-19)21(27)26(11-10-24(3)4)14-18-16(2)22-15-23-18/h12,15H,5-11,13-14H2,1-4H3,(H,22,23)
• InChIKey: DEECFHYAEUFGQF-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 68.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 135119559) is N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)N(CCN(C)C)Cc2nc[nH]c2C)cc1CN1CCCC1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?

The InChIKey is DEECFHYAEUFGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-5-19-17(13-25-8-6-7-9-25)12-20(28-19)21(27)26(11-10-24(3)4)14-18-16(2)22-15-23-18/h12,15H,5-11,13-14H2,1-4H3,(H,22,23).

What are the key properties of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?

N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 135119559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).