2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine

C27H29Cl2N5O3 — CID 142250788

IUPAC2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine
SMILESC1CCNCC1.CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H18Cl2N4O3.C5H11N/c1-13(29)28(2)17-7-3-14(4-8-17)21(30)26-19-9-5-15(23)11-18(19)22(31)27-20-10-6-16(24)12-25-20;1-2-4-6-5-3-1/h3-12H,1-2H3,(H,26,30)(H,25,27,31);6H,1-5H2
InChIKeyKRMDPJCTKSLOJT-UHFFFAOYSA-N
MW542.47 g/mol
LogP5.64
Rot. Bonds5

About 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine

2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine (PubChem CID 142250788) has the molecular formula C27H29Cl2N5O3 and a molecular weight of 542.47 g/mol. Its IUPAC name is 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine.

Molecular Properties

Compound Name2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine
PubChem CID142250788
Molecular FormulaC27H29Cl2N5O3
Molecular Weight542.47 g/mol
Exact Mass541.16
IUPAC Name2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine
SMILESC1CCNCC1.CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H18Cl2N4O3.C5H11N/c1-13(29)28(2)17-7-3-14(4-8-17)21(30)26-19-9-5-15(23)11-18(19)22(31)27-20-10-6-16(24)12-25-20;1-2-4-6-5-3-1/h3-12H,1-2H3,(H,26,30)(H,25,27,31);6H,1-5H2
InChIKeyKRMDPJCTKSLOJT-UHFFFAOYSA-N
XLogP5.64
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.47
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
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CID 10162145
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
CID 18727832
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
2-[[4-[acetamido-(2-bromoethylidene)-oxo-λ6-sulfanyl]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 91130582
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 25268093
5-chloro-2-[[4-[[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]methyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 71132806

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine?
The IUPAC name of 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine (CID 142250788) is 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine.
What is the SMILES notation for 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine?
The canonical SMILES for 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine is C1CCNCC1.CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine?
The InChIKey is KRMDPJCTKSLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3.C5H11N/c1-13(29)28(2)17-7-3-14(4-8-17)21(30)26-19-9-5-15(23)11-18(19)22(31)27-20-10-6-16(24)12-25-20;1-2-4-6-5-3-1/h3-12H,1-2H3,(H,26,30)(H,25,27,31);6H,1-5H2.
What are the key properties of 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine?
2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine has a molecular weight of 542.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[acetyl(methyl)amino]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;piperidine is sourced from PubChem (CID 142250788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).