5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide

C22H22ClN3O3 — CID 67776725

IUPAC5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C22H22ClN3O3/c1-12(2)25-22(28)17-9-19(29-21(17)15-7-5-6-8-18(15)23)16-10-20(26-14(4)27)24-11-13(16)3/h5-12H,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyWTEDDIIWHHVPSC-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.07
Rot. Bonds5

About 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide

5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide (PubChem CID 67776725) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
PubChem CID67776725
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C22H22ClN3O3/c1-12(2)25-22(28)17-9-19(29-21(17)15-7-5-6-8-18(15)23)16-10-20(26-14(4)27)24-11-13(16)3/h5-12H,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyWTEDDIIWHHVPSC-UHFFFAOYSA-N
XLogP5.07
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide (CID 67776725) is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide is CC(=O)Nc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is WTEDDIIWHHVPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-12(2)25-22(28)17-9-19(29-21(17)15-7-5-6-8-18(15)23)16-10-20(26-14(4)27)24-11-13(16)3/h5-12H,1-4H3,(H,25,28)(H,24,26,27).
What are the key properties of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide?
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 67776725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).