N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide

C23H25N3O3 — CID 49358466

IUPACN-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCC(NC(=O)c4ccc(C)o4)CC3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-14-4-6-20-17(12-14)13-19(16(3)24-20)23(28)26-10-8-18(9-11-26)25-22(27)21-7-5-15(2)29-21/h4-7,12-13,18H,8-11H2,1-3H3,(H,25,27)
InChIKeyCYJNWGBOYWMBQS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.79
Rot. Bonds3

About N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49358466) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49358466
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCC(NC(=O)c4ccc(C)o4)CC3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-14-4-6-20-17(12-14)13-19(16(3)24-20)23(28)26-10-8-18(9-11-26)25-22(27)21-7-5-15(2)29-21/h4-7,12-13,18H,8-11H2,1-3H3,(H,25,27)
InChIKeyCYJNWGBOYWMBQS-UHFFFAOYSA-N
XLogP3.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358563
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51283891
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49358466) is N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc2nc(C)c(C(=O)N3CCC(NC(=O)c4ccc(C)o4)CC3)cc2c1.
What is the InChIKey of N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is CYJNWGBOYWMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-4-6-20-17(12-14)13-19(16(3)24-20)23(28)26-10-8-18(9-11-26)25-22(27)21-7-5-15(2)29-21/h4-7,12-13,18H,8-11H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).