N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide

C21H26N4O — CID 58006694

IUPACN-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N3CCN(C4CC4)CC3)cc2C)c1
InChIInChI=1S/C21H26N4O/c1-15-12-21(25-10-8-24(9-11-25)19-6-7-19)22-14-20(15)17-4-3-5-18(13-17)23-16(2)26/h3-5,12-14,19H,6-11H2,1-2H3,(H,23,26)
InChIKeySXLLRZQPAWLCJT-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.30
Rot. Bonds4

About N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide

N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide (PubChem CID 58006694) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide
PubChem CID58006694
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc(N3CCN(C4CC4)CC3)cc2C)c1
InChIInChI=1S/C21H26N4O/c1-15-12-21(25-10-8-24(9-11-25)19-6-7-19)22-14-20(15)17-4-3-5-18(13-17)23-16(2)26/h3-5,12-14,19H,6-11H2,1-2H3,(H,23,26)
InChIKeySXLLRZQPAWLCJT-UHFFFAOYSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide (CID 58006694) is N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc(N3CCN(C4CC4)CC3)cc2C)c1.
What is the InChIKey of N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide?
The InChIKey is SXLLRZQPAWLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-12-21(25-10-8-24(9-11-25)19-6-7-19)22-14-20(15)17-4-3-5-18(13-17)23-16(2)26/h3-5,12-14,19H,6-11H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide?
N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-cyclopropylpiperazin-1-yl)-4-methyl-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58006694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).