2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide

C23H25Cl2N7O — CID 58748688

IUPAC2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide
SMILESCCCN1CCN(c2ccc(Nc3ncc(NC(=O)c4c(Cl)cccc4Cl)cn3)cn2)CC1
InChIInChI=1S/C23H25Cl2N7O/c1-2-8-31-9-11-32(12-10-31)20-7-6-16(13-26-20)30-23-27-14-17(15-28-23)29-22(33)21-18(24)4-3-5-19(21)25/h3-7,13-15H,2,8-12H2,1H3,(H,29,33)(H,27,28,30)
InChIKeyQJNZTDUIVLLAJL-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.71
Rot. Bonds7

About 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide

2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide (PubChem CID 58748688) has the molecular formula C23H25Cl2N7O and a molecular weight of 486.41 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide
PubChem CID58748688
Molecular FormulaC23H25Cl2N7O
Molecular Weight486.41 g/mol
Exact Mass485.15
IUPAC Name2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide
SMILESCCCN1CCN(c2ccc(Nc3ncc(NC(=O)c4c(Cl)cccc4Cl)cn3)cn2)CC1
InChIInChI=1S/C23H25Cl2N7O/c1-2-8-31-9-11-32(12-10-31)20-7-6-16(13-26-20)30-23-27-14-17(15-28-23)29-22(33)21-18(24)4-3-5-19(21)25/h3-7,13-15H,2,8-12H2,1H3,(H,29,33)(H,27,28,30)
InChIKeyQJNZTDUIVLLAJL-UHFFFAOYSA-N
XLogP4.71
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethyl-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]benzamide
CID 11852117
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30133849
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 30548402
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 26126263
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethane
CID 144702960

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide (CID 58748688) is 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide is CCCN1CCN(c2ccc(Nc3ncc(NC(=O)c4c(Cl)cccc4Cl)cn3)cn2)CC1.
What is the InChIKey of 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide?
The InChIKey is QJNZTDUIVLLAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O/c1-2-8-31-9-11-32(12-10-31)20-7-6-16(13-26-20)30-23-27-14-17(15-28-23)29-22(33)21-18(24)4-3-5-19(21)25/h3-7,13-15H,2,8-12H2,1H3,(H,29,33)(H,27,28,30).
What are the key properties of 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide?
2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide has a molecular weight of 486.41 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 58748688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).