2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide

C20H25N3O3 — CID 136544454

IUPAC2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1cncc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-14-11-16(13-21-12-14)3-4-19(24)23-8-5-17(6-9-23)22-20(25)18-7-10-26-15(18)2/h7,10-13,17H,3-6,8-9H2,1-2H3,(H,22,25)
InChIKeyWVWNUXCCMPPIQE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds5

About 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide

2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 136544454) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID136544454
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1cncc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-14-11-16(13-21-12-14)3-4-19(24)23-8-5-17(6-9-23)22-20(25)18-7-10-26-15(18)2/h7,10-13,17H,3-6,8-9H2,1-2H3,(H,22,25)
InChIKeyWVWNUXCCMPPIQE-UHFFFAOYSA-N
XLogP2.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide (CID 136544454) is 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide is Cc1cncc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1.
What is the InChIKey of 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is WVWNUXCCMPPIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-11-16(13-21-12-14)3-4-19(24)23-8-5-17(6-9-23)22-20(25)18-7-10-26-15(18)2/h7,10-13,17H,3-6,8-9H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide?
2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(5-methyl-3-pyridinyl)propanoyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 136544454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).