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

C27H28Cl2N4O2 — CID 142082750

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCCC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C27H28Cl2N4O2/c1-2-18-11-13-33(14-12-18)17-19-3-5-20(6-4-19)26(34)31-24-9-7-21(28)15-23(24)27(35)32-25-10-8-22(29)16-30-25/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,31,34)(H,30,32,35)
InChIKeyYLSYYQUXDPVTTG-UHFFFAOYSA-N
MW511.45 g/mol
LogP6.51
Rot. Bonds7

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

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 142082750) has the molecular formula C27H28Cl2N4O2 and a molecular weight of 511.45 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID142082750
Molecular FormulaC27H28Cl2N4O2
Molecular Weight511.45 g/mol
Exact Mass510.16
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCCC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C27H28Cl2N4O2/c1-2-18-11-13-33(14-12-18)17-19-3-5-20(6-4-19)26(34)31-24-9-7-21(28)15-23(24)27(35)32-25-10-8-22(29)16-30-25/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,31,34)(H,30,32,35)
InChIKeyYLSYYQUXDPVTTG-UHFFFAOYSA-N
XLogP6.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate
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N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
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2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)benzamide
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5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]benzoyl]amino]benzamide
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5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
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5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (CID 142082750) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is CCC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is YLSYYQUXDPVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O2/c1-2-18-11-13-33(14-12-18)17-19-3-5-20(6-4-19)26(34)31-24-9-7-21(28)15-23(24)27(35)32-25-10-8-22(29)16-30-25/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,31,34)(H,30,32,35).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 511.45 g/mol, XLogP of 6.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 142082750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).