2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C24H29N5O2 — CID 24791305

IUPAC2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-18-7-6-10-20(26-18)17-28-15-12-21(13-16-28)29-22(11-14-25-29)27-24(30)23(31-2)19-8-4-3-5-9-19/h3-11,14,21,23H,12-13,15-17H2,1-2H3,(H,27,30)
InChIKeyQLZBEZBWRZRDLY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.75
Rot. Bonds7

About 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24791305) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24791305
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(C)n2)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-18-7-6-10-20(26-18)17-28-15-12-21(13-16-28)29-22(11-14-25-29)27-24(30)23(31-2)19-8-4-3-5-9-19/h3-11,14,21,23H,12-13,15-17H2,1-2H3,(H,27,30)
InChIKeyQLZBEZBWRZRDLY-UHFFFAOYSA-N
XLogP3.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24791305) is 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(C)n2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is QLZBEZBWRZRDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-7-6-10-20(26-18)17-28-15-12-21(13-16-28)29-22(11-14-25-29)27-24(30)23(31-2)19-8-4-3-5-9-19/h3-11,14,21,23H,12-13,15-17H2,1-2H3,(H,27,30).
What are the key properties of 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 419.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24791305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).