2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide

C23H27N7O — CID 91095968

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C)CC2)cc1N(c1cccnc1)c1ncccn1
InChIInChI=1S/C23H27N7O/c1-18-6-7-19(27-22(31)17-29-13-11-28(2)12-14-29)15-21(18)30(20-5-3-8-24-16-20)23-25-9-4-10-26-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,31)
InChIKeyNFGQOFQTWWVUFL-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 91095968) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID91095968
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C)CC2)cc1N(c1cccnc1)c1ncccn1
InChIInChI=1S/C23H27N7O/c1-18-6-7-19(27-22(31)17-29-13-11-28(2)12-14-29)15-21(18)30(20-5-3-8-24-16-20)23-25-9-4-10-26-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,31)
InChIKeyNFGQOFQTWWVUFL-UHFFFAOYSA-N
XLogP2.84
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90910898
N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
CID 90838861
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306
4-(diethylaminomethyl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91073023
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 91153862
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90784917
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-pyridin-3-ylpropanamide
CID 86852146
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide (CID 91095968) is 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide is Cc1ccc(NC(=O)CN2CCN(C)CC2)cc1N(c1cccnc1)c1ncccn1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is NFGQOFQTWWVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-18-6-7-19(27-22(31)17-29-13-11-28(2)12-14-29)15-21(18)30(20-5-3-8-24-16-20)23-25-9-4-10-26-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,27,31).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 417.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 91095968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).