N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane

C22H34ClN5O2 — CID 163237865

IUPACN-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane
SMILESCC.CC.COc1cnc(C2CCCN(C(C)C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C18H22ClN5O2.2C2H6/c1-12(18(25)23-16-6-5-14(19)8-21-16)24-7-3-4-13(11-24)15-9-22-17(26-2)10-20-15;2*1-2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,21,23,25);2*1-2H3
InChIKeyPXEDCCZGBJWGQA-UHFFFAOYSA-N
MW436.00 g/mol
LogP4.79
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane

N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane (PubChem CID 163237865) has the molecular formula C22H34ClN5O2 and a molecular weight of 436.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane
PubChem CID163237865
Molecular FormulaC22H34ClN5O2
Molecular Weight436.00 g/mol
Exact Mass435.24
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane
SMILESCC.CC.COc1cnc(C2CCCN(C(C)C(=O)Nc3ccc(Cl)cn3)C2)cn1
InChIInChI=1S/C18H22ClN5O2.2C2H6/c1-12(18(25)23-16-6-5-14(19)8-21-16)24-7-3-4-13(11-24)15-9-22-17(26-2)10-20-15;2*1-2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,21,23,25);2*1-2H3
InChIKeyPXEDCCZGBJWGQA-UHFFFAOYSA-N
XLogP4.79
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane (CID 163237865) is N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane is CC.CC.COc1cnc(C2CCCN(C(C)C(=O)Nc3ccc(Cl)cn3)C2)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane?
The InChIKey is PXEDCCZGBJWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2.2C2H6/c1-12(18(25)23-16-6-5-14(19)8-21-16)24-7-3-4-13(11-24)15-9-22-17(26-2)10-20-15;2*1-2/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3,(H,21,23,25);2*1-2H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane?
N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane has a molecular weight of 436.00 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[3-(5-methoxypyrazin-2-yl)piperidin-1-yl]propanamide;ethane is sourced from PubChem (CID 163237865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).