6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

C25H31ClN2O4 — CID 146052750

IUPAC6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C25H30N2O4.ClH/c1-15-7-9-27(10-8-15)20(22-6-5-18(4)30-22)14-26-25(29)24-13-21(28)19-11-16(2)17(3)12-23(19)31-24;/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H,26,29);1H
InChIKeyXUIYKRNKGRZWKF-UHFFFAOYSA-N
MW458.99 g/mol
LogP4.94
Rot. Bonds5

About 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 146052750) has the molecular formula C25H31ClN2O4 and a molecular weight of 458.99 g/mol. Its IUPAC name is 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID146052750
Molecular FormulaC25H31ClN2O4
Molecular Weight458.99 g/mol
Exact Mass458.20
IUPAC Name6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1.Cl
InChIInChI=1S/C25H30N2O4.ClH/c1-15-7-9-27(10-8-15)20(22-6-5-18(4)30-22)14-26-25(29)24-13-21(28)19-11-16(2)17(3)12-23(19)31-24;/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H,26,29);1H
InChIKeyXUIYKRNKGRZWKF-UHFFFAOYSA-N
XLogP4.94
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052741
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843779
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (CID 146052750) is 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1.Cl.
What is the InChIKey of 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is XUIYKRNKGRZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4.ClH/c1-15-7-9-27(10-8-15)20(22-6-5-18(4)30-22)14-26-25(29)24-13-21(28)19-11-16(2)17(3)12-23(19)31-24;/h5-6,11-13,15,20H,7-10,14H2,1-4H3,(H,26,29);1H.
What are the key properties of 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?
6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 458.99 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).