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

C21H33N5O2 — CID 135096890

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCc1ncc(CN(CCN(C)C)C(=O)c2ccc(CN3CCC(C)CC3)o2)[nH]1
InChIInChI=1S/C21H33N5O2/c1-16-7-9-25(10-8-16)15-19-5-6-20(28-19)21(27)26(12-11-24(3)4)14-18-13-22-17(2)23-18/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,22,23)
InChIKeyQATSCQFZTLMMGN-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.75
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 135096890) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
PubChem CID135096890
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCc1ncc(CN(CCN(C)C)C(=O)c2ccc(CN3CCC(C)CC3)o2)[nH]1
InChIInChI=1S/C21H33N5O2/c1-16-7-9-25(10-8-16)15-19-5-6-20(28-19)21(27)26(12-11-24(3)4)14-18-13-22-17(2)23-18/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,22,23)
InChIKeyQATSCQFZTLMMGN-UHFFFAOYSA-N
XLogP2.75
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (CID 135096890) is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is Cc1ncc(CN(CCN(C)C)C(=O)c2ccc(CN3CCC(C)CC3)o2)[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is QATSCQFZTLMMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16-7-9-25(10-8-16)15-19-5-6-20(28-19)21(27)26(12-11-24(3)4)14-18-13-22-17(2)23-18/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 135096890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).