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

C23H25ClN4O3 — CID 68947197

IUPAC3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
SMILESCN(C)C1CCC(C(=O)N(c2ccc(Cl)cn2)c2c(C(N)=O)oc3ccccc23)CC1
InChIInChI=1S/C23H25ClN4O3/c1-27(2)16-10-7-14(8-11-16)23(30)28(19-12-9-15(24)13-26-19)20-17-5-3-4-6-18(17)31-21(20)22(25)29/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H2,25,29)
InChIKeySLSQYBXKJBGHOG-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.37
Rot. Bonds5

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

3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 68947197) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
PubChem CID68947197
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
SMILESCN(C)C1CCC(C(=O)N(c2ccc(Cl)cn2)c2c(C(N)=O)oc3ccccc23)CC1
InChIInChI=1S/C23H25ClN4O3/c1-27(2)16-10-7-14(8-11-16)23(30)28(19-12-9-15(24)13-26-19)20-17-5-3-4-6-18(17)31-21(20)22(25)29/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H2,25,29)
InChIKeySLSQYBXKJBGHOG-UHFFFAOYSA-N
XLogP4.37
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-pyridinyl) 3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxylate
CID 70925292
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;dihydrochloride
CID 23062731
1-(5-chloro-2-pyridinyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55687111
3-[[4-[acetyl(propan-2-yl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 23062669
N-(4-chlorophenyl)-4-(dimethylamino)-N-(furan-3-yl)cyclohexane-1-carboxamide
CID 141090454
tert-butyl 2-[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]carbamoyl]cyclohexyl]-methylamino]acetate;2-[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]carbamoyl]cyclohexyl]-methylamino]acetic acid;dihydrochloride
CID 158398433
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
5-chloro-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 66232762
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]piperidine-4-carboxamide
CID 23062699
N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 11475123
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 8699681

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (CID 68947197) is 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is CN(C)C1CCC(C(=O)N(c2ccc(Cl)cn2)c2c(C(N)=O)oc3ccccc23)CC1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is SLSQYBXKJBGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-27(2)16-10-7-14(8-11-16)23(30)28(19-12-9-15(24)13-26-19)20-17-5-3-4-6-18(17)31-21(20)22(25)29/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H2,25,29).
What are the key properties of 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?
3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)-[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 68947197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).