N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide

C26H28ClN5O2 — CID 71132804

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C26H28ClN5O2/c1-18-3-9-23(22(15-18)26(34)30-24-10-8-21(27)16-28-24)29-25(33)20-6-4-19(5-7-20)17-32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,33)(H,28,30,34)
InChIKeyIZXMDBRGQPZWNH-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.30
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 71132804) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID71132804
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C26H28ClN5O2/c1-18-3-9-23(22(15-18)26(34)30-24-10-8-21(27)16-28-24)29-25(33)20-6-4-19(5-7-20)17-32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,33)(H,28,30,34)
InChIKeyIZXMDBRGQPZWNH-UHFFFAOYSA-N
XLogP4.30
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide (CID 71132804) is N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is IZXMDBRGQPZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-18-3-9-23(22(15-18)26(34)30-24-10-8-21(27)16-28-24)29-25(33)20-6-4-19(5-7-20)17-32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,33)(H,28,30,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 478.00 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 71132804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).