N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide

C24H26ClN5O5 — CID 142811992

IUPACN-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
SMILESCNC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(NC(=O)CO)cc23)CC1
InChIInChI=1S/C24H26ClN5O5/c1-26-15-5-2-13(3-6-15)23(33)30-21-17-10-16(28-20(32)12-31)7-8-18(17)35-22(21)24(34)29-19-9-4-14(25)11-27-19/h4,7-11,13,15,26,31H,2-3,5-6,12H2,1H3,(H,28,32)(H,30,33)(H,27,29,34)
InChIKeyUBIJSAIYNUDOHQ-UHFFFAOYSA-N
MW499.96 g/mol
LogP3.38
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 142811992) has the molecular formula C24H26ClN5O5 and a molecular weight of 499.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
PubChem CID142811992
Molecular FormulaC24H26ClN5O5
Molecular Weight499.96 g/mol
Exact Mass499.16
IUPAC NameN-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
SMILESCNC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(NC(=O)CO)cc23)CC1
InChIInChI=1S/C24H26ClN5O5/c1-26-15-5-2-13(3-6-15)23(33)30-21-17-10-16(28-20(32)12-31)7-8-18(17)35-22(21)24(34)29-19-9-4-14(25)11-27-19/h4,7-11,13,15,26,31H,2-3,5-6,12H2,1H3,(H,28,32)(H,30,33)(H,27,29,34)
InChIKeyUBIJSAIYNUDOHQ-UHFFFAOYSA-N
XLogP3.38
TPSA145.59 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 53.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (CID 142811992) is N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is CNC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(NC(=O)CO)cc23)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is UBIJSAIYNUDOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O5/c1-26-15-5-2-13(3-6-15)23(33)30-21-17-10-16(28-20(32)12-31)7-8-18(17)35-22(21)24(34)29-19-9-4-14(25)11-27-19/h4,7-11,13,15,26,31H,2-3,5-6,12H2,1H3,(H,28,32)(H,30,33)(H,27,29,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 499.96 g/mol, XLogP of 3.38, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-[(2-hydroxyacetyl)amino]-3-[[4-(methylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 142811992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).