N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide

C21H28N4O — CID 58006679

IUPACN,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCC(C)N1CCN(c2ccc(-c3cccc(C(=O)N(C)C)c3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-16(2)24-10-12-25(13-11-24)20-9-8-19(15-22-20)17-6-5-7-18(14-17)21(26)23(3)4/h5-9,14-16H,10-13H2,1-4H3
InChIKeyUVJJSVKAMLKHDS-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide

N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide (PubChem CID 58006679) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
PubChem CID58006679
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
SMILESCC(C)N1CCN(c2ccc(-c3cccc(C(=O)N(C)C)c3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-16(2)24-10-12-25(13-11-24)20-9-8-19(15-22-20)17-6-5-7-18(14-17)21(26)23(3)4/h5-9,14-16H,10-13H2,1-4H3
InChIKeyUVJJSVKAMLKHDS-UHFFFAOYSA-N
XLogP2.98
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide (CID 58006679) is N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide is CC(C)N1CCN(c2ccc(-c3cccc(C(=O)N(C)C)c3)cn2)CC1.
What is the InChIKey of N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is UVJJSVKAMLKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)24-10-12-25(13-11-24)20-9-8-19(15-22-20)17-6-5-7-18(14-17)21(26)23(3)4/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide?
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 58006679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).