N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide

C21H28N4O — CID 15951459

IUPACN-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N3CCN(C(C)C)CC3)c(C)c2)c1
InChIInChI=1S/C21H28N4O/c1-15(2)24-8-10-25(11-9-24)21-16(3)12-19(14-22-21)18-6-5-7-20(13-18)23-17(4)26/h5-7,12-15H,8-11H2,1-4H3,(H,23,26)
InChIKeyRFXJUPXPFLNGPW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.55
Rot. Bonds4

About N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide

N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide (PubChem CID 15951459) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
PubChem CID15951459
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N3CCN(C(C)C)CC3)c(C)c2)c1
InChIInChI=1S/C21H28N4O/c1-15(2)24-8-10-25(11-9-24)21-16(3)12-19(14-22-21)18-6-5-7-20(13-18)23-17(4)26/h5-7,12-15H,8-11H2,1-4H3,(H,23,26)
InChIKeyRFXJUPXPFLNGPW-UHFFFAOYSA-N
XLogP3.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
CID 124501542
N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide
CID 58006694
cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
CID 69250731
[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79885912
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide
CID 123439510
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
CID 120873876
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide (CID 15951459) is N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc(N3CCN(C(C)C)CC3)c(C)c2)c1.
What is the InChIKey of N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide?
The InChIKey is RFXJUPXPFLNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)24-8-10-25(11-9-24)21-16(3)12-19(14-22-21)18-6-5-7-20(13-18)23-17(4)26/h5-7,12-15H,8-11H2,1-4H3,(H,23,26).
What are the key properties of N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide?
N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 15951459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).