3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide

C20H26N4O — CID 155453338

IUPAC3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
SMILESCc1cccnc1C1CCCC(c2ncccc2CCC(N)=O)N1C
InChIInChI=1S/C20H26N4O/c1-14-6-4-12-22-19(14)16-8-3-9-17(24(16)2)20-15(7-5-13-23-20)10-11-18(21)25/h4-7,12-13,16-17H,3,8-11H2,1-2H3,(H2,21,25)
InChIKeyPUXHZGIQNOWELM-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds5

About 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide

3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide (PubChem CID 155453338) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
PubChem CID155453338
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
SMILESCc1cccnc1C1CCCC(c2ncccc2CCC(N)=O)N1C
InChIInChI=1S/C20H26N4O/c1-14-6-4-12-22-19(14)16-8-3-9-17(24(16)2)20-15(7-5-13-23-20)10-11-18(21)25/h4-7,12-13,16-17H,3,8-11H2,1-2H3,(H2,21,25)
InChIKeyPUXHZGIQNOWELM-UHFFFAOYSA-N
XLogP3.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide?
The IUPAC name of 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide (CID 155453338) is 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide is Cc1cccnc1C1CCCC(c2ncccc2CCC(N)=O)N1C.
What is the InChIKey of 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide?
The InChIKey is PUXHZGIQNOWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-6-4-12-22-19(14)16-8-3-9-17(24(16)2)20-15(7-5-13-23-20)10-11-18(21)25/h4-7,12-13,16-17H,3,8-11H2,1-2H3,(H2,21,25).
What are the key properties of 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide?
3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 155453338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).