N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide

C27H25Cl2N3O3 — CID 11756059

IUPACN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33)
InChIKeyREQGHDPBBUSDDM-UHFFFAOYSA-N
MW510.42 g/mol
LogP6.86
Rot. Bonds6

About N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide

N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide (PubChem CID 11756059) has the molecular formula C27H25Cl2N3O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
PubChem CID11756059
Molecular FormulaC27H25Cl2N3O3
Molecular Weight510.42 g/mol
Exact Mass509.13
IUPAC NameN-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33)
InChIKeyREQGHDPBBUSDDM-UHFFFAOYSA-N
XLogP6.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.42
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide (CID 11756059) is N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?
The InChIKey is REQGHDPBBUSDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33).
What are the key properties of N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide?
N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide has a molecular weight of 510.42 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 11756059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).